成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 6633-61-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6633-61-0
Chemical Structure| 6633-61-0
Structure of 6633-61-0 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 6633-61-0 ]

Related Doc. of [ 6633-61-0 ]

Alternatived Products of [ 6633-61-0 ]
Product Citations

Product Details of [ 6633-61-0 ]

CAS No. :6633-61-0 MDL No. :MFCD03788562
Formula : C5H6N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :UJNNCGWBDJHCEM-UHFFFAOYSA-N
M.W : 158.18 Pubchem ID :238005
Synonyms :

Calculated chemistry of [ 6633-61-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.2
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.8
TPSA : 93.45 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.4
Log Po/w (XLOGP3) : 0.79
Log Po/w (WLOGP) : 0.52
Log Po/w (MLOGP) : -0.54
Log Po/w (SILICOS-IT) : 1.23
Consensus Log Po/w : 0.68

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.56
Solubility : 4.39 mg/ml ; 0.0278 mol/l
Class : Very soluble
Log S (Ali) : -2.33
Solubility : 0.734 mg/ml ; 0.00464 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.0
Solubility : 15.9 mg/ml ; 0.1 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.37

Safety of [ 6633-61-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6633-61-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 6633-61-0 ]

[ 6633-61-0 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 6633-61-0 ]
  • [ 52499-04-4 ]
YieldReaction ConditionsOperation in experiment
49% With ammonia; In water; at 50℃; for 72h; Example 12 (E)-2-[2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclohexyloxyimino-acetylamino]-thiazole-5-carboxylic acid amide 2-Amino-thiazole-5-carboxylic acid methyl ester (333 mg, 2.11 mmol) and a solution of concentrated ammonium hydroxide (4.2 mL) were combined and heated to 50 C. After stirring 72 h, the mixture was cooled, filtered and the filtrate was concentrated in vacuo to half the original volume. The precipitate was collected by filtration in vacuo and washed with water. Drying in vacuo afforded the desired product, 2-amino-thiazole-5-carboxylic acid amide (148 mg, 49%) as a tan solid that was used without further purification: LC-MS (ESI) m/e calcd for C4H5N3OS [M+] 103.02, found 286.9 [2M+H+]; H1-NMR (400 MHz, CD3OD) delta=7.59 (1H, s).
  • 2
  • [ 20656-61-5 ]
  • [ 17356-08-0 ]
  • [ 6633-61-0 ]
YieldReaction ConditionsOperation in experiment
44% A mixture of 2. 4g of g-2, water 20ml and 1.75g of thiourea was refluxed for 2 hours. The mixture was cooled to room temperature and 0.25g of norit was added and filtered. A solution of 2. 5N sodium hydroxide was added to the filtrate until neutral pH. The filtration yielded 1.23g (44%) of 2-aminothiazole-5-carboxylic acid methyl ester (g-3).
  • 3
  • [ 6633-61-0 ]
  • [ 18926-24-4 ]
  • [ 36324-81-9 ]
  • 4
  • [ 6633-61-0 ]
  • [ 4461-30-7 ]
  • [ 36324-80-8 ]
  • 6
  • [ 6633-61-0 ]
  • [ 275-51-4 ]
  • methyl 2-(azulen-1-yldiazenyl)-1,3-thiazole-5-carboxylate [ No CAS ]
  • 7
  • [ 6633-61-0 ]
  • [ 98-88-4 ]
  • 2-benzoylaminothiazole-5-carboxylic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% With pyridine; dmap; In N,N-dimethyl-formamide; at 20℃; for 12h; A. Benzoyl chloride (0.44 g, 0.37 mL) was added to a mixture of 2- aminothiazole-5-carboxylic acid methyl ester (0.50 g, 3.16 mmol), 4- dimethylaminopyridine (0.050 g, 0.41 mmol) and pyridine (2.5 mL, 31.60 mmol) in N, N- dimethylformamide (20 mL) at ambient temperature. The reaction mixture was stirred at ambient temperature for 12 h, and concentrated in vacuo. The residue was purified by column chromatography to yield 2-benzoylaminothiazole~5-carboxylic acid methyl ester in 78% yield (0.654 g); MS (ES+) m/z 263.2 (M + 1).
  • 8
  • [ 6633-61-0 ]
  • [ 24424-99-5 ]
  • [ 745078-03-9 ]
YieldReaction ConditionsOperation in experiment
100% With dmap; triethylamine; In tetrahydrofuran; at 20℃; for 16h; 2-Amino-thiazole-5-carboxylic acid methyl ester (4.0 g, 25.28 mmol) was suspended in THF (100 ml). Di-tert-butyl dicarbonate (6.63 g, 30.34 mmol) was added to the reaction vessel and the mixture was stirred vigorously. Next, Triethylamine (7.05 mL, 50.57 mmol) and 4-Dimethylaminopyridine (316 mg, 2.53 mmol) were added to the reaction. The reaction was stirred at room temperature for 16 hours. A brown precipitate was present upon completion of the reaction. The reaction mixture was concentrated down in vacuo and dried in a vacuum oven to afford the crude product, 2-tert-Butoxycarbonylamino-thiazole-5- carboxylic acid methyl ester (6.5 g, 100% yield), which was then taken on to subsequent reaction. LCMS [M+H] 258.9.
38% With triethylamine;dmap; In tetrahydrofuran; at 0 - 20℃; for 20h; A solution of di-tert-butyl dicarbonate (1.66 g; 7.59 mmol) in THF (10 mL) was added to a 0 C. solution of <strong>[6633-61-0]methyl 2-aminothiazole-5-carboxylate</strong> (1.20 g; 7.59 mmol) in THF (20 mL). TEA (1.11 mL; 7.97 mmol) was added followed by a catalytic amount of 4-DMAP (10 mg). The reaction mixture was then stirred at RT for 20 h, then was concentrated in vacuo. The residue was partitioned between EtOAc (80 mL) and 0.2 N aqueous HCl (40 mL). The organic phase was washed with brine (40 mL), dried (MgSO4) and concentrated in vacuo to give Part A compound (1.70 g; yield given below in Part B). The crude product was taken forward without further purification.
Intermediate 4[00176] A solution of di-tert-butyl dicarbonate (1.66 g; 7.59 mmol) in THF (10 mL) was added to a 0C solution of <strong>[6633-61-0]methyl 2-aminothiazole-5-carboxylate</strong> (1.20 g; 7.59 mmol) in THF (20 mL). TEA (1.1 1 mL; 7.97 mmol) was added followed by a catalytic amount of 4-DMAP (10 mg). The reaction mixture was then stirred at RT for 20 h, then was concentrated in vacuo. The residue was partitioned between EtOAc (80 mL) and 0.2 N aqueous HC1 (40 mL). The organic phase was washed with brine (40 mL), dried (MgS04) and concentrated in vacuo to give Part A compound (1.70 g; yield given below in Part B). The crude product was taken forward without further purification.
  • 9
  • [ 916520-71-3 ]
  • [ 6633-61-0 ]
  • C18H16N4O4S [ No CAS ]
  • 10
  • [ 6633-61-0 ]
  • [ 72605-86-8 ]
YieldReaction ConditionsOperation in experiment
With n-Amyl nitrite; copper dichloride; In acetonitrile; at 50℃; for 2h; To a preheated (50 C.) slurry of copper (II) chloride (932 mg), 10 mL of acetonitrile was added, along with the thiazole aminoester (1 g) and amyl nitrite (737 mg). The mixture was heated at 50 C. for 2 h. The resulting mixture was concentrated and purified by Biotage (5-10% ethyl acetate in hexane) to give the chloride as a brown solid.
With sodium nitrite; In hydrogenchloride; water; Petroleum ether; EXAMPLE I Preparation of Methyl 2-chlorothiazole-5-carboxylate To 5.0 g of <strong>[6633-61-0]methyl 2-aminothiazole-5-carboxylate</strong> [H. E. Faith, U.S. Pat. No. 2,405,820(1946)] suspended in 54 ml of 6 N hydrochloric acid stirred at-5-0 was added dropwise over 15 minutes 3.7 g of sodium nitrite dissolved in 10 ml of water. After stirring 5 minutes, the brown suspension was added in one portion to a rapidly stirred suspension of 10.6 g of cupric sulfate and 10.6 g of sodium chloride cooled at 5. The cooling bath was removed and stirring was continued for 30 minutes. The pH was adjusted to 7.3 with 6 N sodium hydroxide and the green suspension was filtered through Celite. The solid was washed with three portions of ethyl acetate and the extract was combined with the ethyl acetate extract of the original filtrate. After drying the combined extract over magnesium sulfate, concentration in vacuo gave a brown solid. Trituration with four portions of hot petroleum ether (35-60) served to separate the soluble product from some starting material. Concentration in vacuo of the petroleum ether solution gave 3.9 g. of pure methyl 2-chlorothiazole-5-carboxylate having a melting point of 41-46.
  • 11
  • [ 6633-61-0 ]
  • [ 36324-91-1 ]
  • 12
  • [ 6633-61-0 ]
  • [ 14527-44-7 ]
YieldReaction ConditionsOperation in experiment
88% With isopentyl nitrite; In tetrahydrofuran; at 120℃; for 0.333333h; General procedure: A solution of the selected heterocyclic starting material (1.00 mmol) in THF (10 mL) and a solutionof isopentyl nitrite (141 mg, 1.20 mmol) in THF (10 mL) were both pumped at a flow rate of 0.25 mLmin1 with a Vapourtech ?Easy MedChem V3? system, meeting at a PTFE T-piece and the outputflowing through a 10.0 mL coil reactor maintained at 120 C, giving a residence time of 20 min.The pressure of the system was maintained at 7 bar with a back-pressure regulator. For compoundswhere an isolated yield was reported: the output mixture was concentrated under reduced pressureto give an oil (or powder). The oil (or powder) was purified using column chromatography withvarious mixtures of ethyl acetate and hexane as the eluent, or by recrystallisation using methanol, togive isolated compounds that showed no impurities by NMR spectroscopy. For compounds where aconversion was reported (due to volatility of products), the output mixture was carefully concentratedunder a reduced pressure of 100 mbar for 10 min and the conversion was calculated by integration ofproduct peaks to a quantified internal standard (nitrobenzene).
48% With isopentyl nitrite; In 1,4-dioxane; at 80℃; for 2h;Heating / reflux; The mixture of 2. 15g of isoamyl nitrite and 10ml of dioxane was stirred at 80C under a nitrogen atmosphere. A solution of 1.23g of g-3 in 20ml of dioxane was added drop wise. The mixture was refluxed for 2 hours. After cooling to room temperature 30ml of ethyl acetate was added. The mixture was washed with brine and dried and the solvent evaporated under reduced pressure. The crude product is purified on silica, yielding 0.54g (48%) of thiazol 5-carboxylic acid methyl ester (g-4).
  • 13
  • [ 1780-26-3 ]
  • [ 6633-61-0 ]
  • methyl 2-(6-chloro-2-methylpyrimidin-4-yl-amino)thiazol-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20℃; for 2h; To a suspension of <strong>[6633-61-0]methyl 2-aminothiazole-5-carboxylate</strong> (4.90 g, 31.0 mmol) and NaH (60% dispersion in mineral oil, 1.36 g, 34.1 mmol) in DMF at O0C is added 4,6-dichloro-2-methyl-pyrimidine (5.05 g, 31.0 mmol) in DMF and the mixture is stirred for 2 hours at room temperature. The reaction mixture is diluted with EtOAc and washed with 10% aqueous sodium thiosulfate solution. The organic layer is dried over MgSO4, and concentrated in reduced pressure. The crude product is crystallized from MeOH to give methyl 2-(6-chloro-2-methyl-pyrimidin-4-ylamino)-thiazole-5-carboxylate as a white solid. [0065] To a stirred solution of methyl 2-(6-chloro-2-methyl-pyrimidin-4- ylamino)-thiazole-5-carboxylate (3.97 g, 14.0 mmol) in MeOH is added 4 N NaOH (15 mL) and the mixture is stirred for 12 hours at 6O0C. The reaction mixture is neutralized with 1 N HCl and the resulting precipitate is filtered and washed with MeOH to give 2-(6-chloro-2- methyl-pyrimidin-4-ylamino)-thiazole-5-carboxylic acid in a white solid. [0066] To a solution of 2-(6-chloro-2-methyl-pyrimidin-4-ylamino)-thiazole-5- carboxylic acid (230 mg, 0.85 mmol), N-(3-Amino-4-methyl-phenyl)-3- trifluoromethylbenzamide (250 mg, 0.85 mmol), and diisopropylethylamine (0.59 mL, 3.4 mmol) in DMF is added O-(7-azabenzotriazol-l-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate (355 mg, 0.93 mmol), and the mixture is stirred for 12 hours at room temperature. The reaction mixture is diluted with EtOAc and washed with 10% aqueous sodium thiosulfate solution. The organic layer is dried over MgSO4 and concentrated in reduced pressure. The crude product is purified by preparative HPLC to give 2-(6-chloro-2- methyl-pyrimidin-4-ylamino)-thiazole-5-carboxylic acid [2-methyl-5-(3-trifluoromethyl- benzoylamino)-phenyl] -amide as a white solid.[0067] To a stirred solution of 2-(6-chloro-2-methyl-pyrimidin-4-ylamino)- thiazole-5-carboxylic acid [2-methyl-5-(3-trifluoromethyl-benzoylamino)-phenyl]-amide (25 EPO <DP n="27"/>mg, 46 mumol) in l,3-dimethyl-2-imidazolidinone (0.2 mL) is added excess 2-piperazin-l-yl- ethanol (100 mg) in l,3-dimethyl-2-imidazolidinone (0.2 mL) and the mixture is stirred for 4 hours at 60 C . The crude product is diluted with DMSO (1 mL) and purified by preparative HPLC to give 2-{6-[4-(2-Hydroxyethyl)-piperazin-l-yl]-2-methylpyrimidin-4-ylamino}- thiazole-5-carboxylic acid [2-methyl-5-(3-trifluoromethylbenzoylamino)-phenyl]-amide in a TFA salt form: 1H NMR 400 MHz (MeOH-d_0 delta 8.26 (s, IH), 8.20 (d, IH), 8.15 (s, IH), 7.90 (d, IH), 7.83 (s, IH), 7.74 (t, IH), 7.55 (d, IH), 7.31 (d, IH), 6.20 (br, IH), 3.93 (dd, 2H), 3.50 (br, 8H), 3.35 (dd, 2H), 2.53 (s, 3H), 2.31 (s, 3H); MS m/z 641.5(M + 1).
62.89 g With sodium hydride; In tetrahydrofuran; N,N-dimethyl acetamide; at -5℃; for 3h; In a reaction flask, 49.49 g 4,6-dichloro-2-methylpyrimidine (0.303 mol), 40.00 g methyl 2-aminothiazol-5-carboxylic acid (0.253 mol), and 200 ml N,N-dimethylacetamide were charged, the temperature was brought to -5 C. and 18.20 g sodium hydride (0.455 mol) in 90 ml tetrahydrofuran were added dropwise and the reaction mixture was kept under these conditions for about three hours. At the end of the reaction, 250 ml of a solution of hydrochloric acid 2N were added, the temperature was brought to the room value, the formed solid was filtered and washed with water (4×200 ml) and dried in oven under vacuum at a temperature of 55 C. for about eight hours, to give 62.89 g methyl 2-(6-chloro-2-methylpyrimidin-4-yl-amino)thiazol-5-carboxylic acid.1H-NMR (DMSO, 300 MHz): delta 8.13 (1H, s), 6.97 (1H, s), 3.82 (3H, s), 2.59 (3H, s)
  • 14
  • [ 107-31-3 ]
  • [ 96-34-4 ]
  • [ 6633-61-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium methylate; In water; thiourea; toluene; Part A Preparation of Methyl 2-aminothiazole-5-carboxylate Methyl chloroacetate 190 g (1.75 mol) and methyl formate 111 g (1.80 mol), were added dropwise to a suspension of 100 g (1.8 moL) of sodium methoxide in 450 mL of dry toluene at 5 C. over 2 hours. After an additional 2.5 hours at 0 C. The contents were diluted with 600 mL of water and the layers separated. The aqueous phase was acidified with 113 mL of concentrated hydrochloric acid. The aqueous solution was placed in a 2 liter flask and 175 grams of thiourea was added and to solution was heated to reflux for 1.45 hours. To the cooled solution was added 25 g of DARCO activated charcoal and filtered through filter paper. The crude dark yellow solution was neutralized with 2.5 N sodium hydroxide upon which time an amber solid precipitated which was filtered and air dried to yield 147 g of desired methyl 2-aminothiazole-5-carboxylate. m/e=159(M+H).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 6633-61-0 ]

Esters

Chemical Structure| 14527-44-7

[ 14527-44-7 ]

Methyl thiazole-5-carboxylate

Similarity: 0.86

Chemical Structure| 32955-22-9

[ 32955-22-9 ]

Ethyl 5-thiazolecarboxylate

Similarity: 0.83

Chemical Structure| 14527-44-7

[ 14527-44-7 ]

Methyl thiazole-5-carboxylate

Similarity: 0.86

Chemical Structure| 32955-22-9

[ 32955-22-9 ]

Ethyl 5-thiazolecarboxylate

Similarity: 0.83

Chemical Structure| 3829-80-9

[ 3829-80-9 ]

Methyl 2-amino-4-methylthiazole-5-carboxylate

Similarity: 0.83

Amines

Chemical Structure| 3829-80-9

[ 3829-80-9 ]

Methyl 2-amino-4-methylthiazole-5-carboxylate

Similarity: 0.83

Chemical Structure| 278183-10-1

[ 278183-10-1 ]

Methyl 4-amino-5-thiazolecarboxylate

Similarity: 0.77

Chemical Structure| 3829-80-9

[ 3829-80-9 ]

Methyl 2-amino-4-methylthiazole-5-carboxylate

Similarity: 0.83

Chemical Structure| 278183-10-1

[ 278183-10-1 ]

Methyl 4-amino-5-thiazolecarboxylate

Similarity: 0.77

Chemical Structure| 152300-59-9

[ 152300-59-9 ]

Ethyl 4-aminothiazole-5-carboxylate

Similarity: 0.75

Related Parent Nucleus of
[ 6633-61-0 ]

Thiazoles

Chemical Structure| 14527-44-7

[ 14527-44-7 ]

Methyl thiazole-5-carboxylate

Similarity: 0.86

Chemical Structure| 32955-22-9

[ 32955-22-9 ]

Ethyl 5-thiazolecarboxylate

Similarity: 0.83

Chemical Structure| 14527-44-7

[ 14527-44-7 ]

Methyl thiazole-5-carboxylate

Similarity: 0.86

Chemical Structure| 32955-22-9

[ 32955-22-9 ]

Ethyl 5-thiazolecarboxylate

Similarity: 0.83

Chemical Structure| 3829-80-9

[ 3829-80-9 ]

Methyl 2-amino-4-methylthiazole-5-carboxylate

Similarity: 0.83

; ;