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. 138-41-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 138-41-0
Chemical Structure| 138-41-0
Structure of 138-41-0 * 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 [ 138-41-0 ]

Related Doc. of [ 138-41-0 ]

Alternatived Products of [ 138-41-0 ]
Product Citations

Product Details of [ 138-41-0 ]

CAS No. :138-41-0 MDL No. :MFCD00007938
Formula : C7H7NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :UCAGLBKTLXCODC-UHFFFAOYSA-N
M.W : 201.20 Pubchem ID :8739
Synonyms :
Chemical Name :4-Sulfamoylbenzoic Acid

Calculated chemistry of [ 138-41-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.4
TPSA : 105.84 ?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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.13
Log Po/w (XLOGP3) : 0.5
Log Po/w (WLOGP) : 1.11
Log Po/w (MLOGP) : -0.05
Log Po/w (SILICOS-IT) : -0.62
Consensus Log Po/w : 0.22

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.61
Solubility : 4.92 mg/ml ; 0.0244 mol/l
Class : Very soluble
Log S (Ali) : -2.29
Solubility : 1.03 mg/ml ; 0.0051 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.34
Solubility : 9.13 mg/ml ; 0.0454 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 138-41-0 ]

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 [ 138-41-0 ]

* 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 [ 138-41-0 ]

[ 138-41-0 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 186581-53-3 ]
  • [ 138-41-0 ]
  • [ 22808-73-7 ]
  • 2
  • [ 67-56-1 ]
  • [ 138-41-0 ]
  • [ 22808-73-7 ]
YieldReaction ConditionsOperation in experiment
95% With sulfuric acid; for 8h;Reflux; Commercially available, 73 4-sulfamoylbenzoic acid 5 (10mmol) was refluxed in dried 74 methanol with a catalytic amount of 75 conc. H2SO4 acid for 8h. After completion of the reaction, the mixture was poured into ice cold water and obtained precipitate was filtered and dried to give 11 methyl 4-sulfamoylbenzoate 6. 4.3.2 11 Methyl 4-sulfamoylbenzoate (6) (0035) White crystalline solid; yield 95%; mp: 148-150C; 1H NMR (DMSO-d6,400MHz):delta 3.87 (s, 3H, OCH3), 7.55 (s, 2H, NH2), 7.94 (d, 2H, Ar, J=8.4Hz), 8.12 (d, 2H, Ar, J=8.4Hz); LC-MS: m/z; 216 (M+1).
93% With sulfuric acid;Reflux; Concentrated sulfuric acid (1 ml) was added dropwise to a mixture of 4-aminosulfonylbenzoic acid (2.010 g, 10 mmol) in methanol (60 mL) and reacted under reflux until TLC showed the reaction was complete.Then, the solvent was removed under reduced pressure, and the residue was added to an aqueous sodium hydroxide solution to adjust the pH 6-7.The mixture was then stirred and filtered to obtain 2.000 g of white solid with a yield of 93.0%.
92% With sulfuric acid; at 20℃;Reflux; 4-Sulfamoyl-benzoic acid methyl ester; To a mixture of 5.16 g 4-carboxylbenzenesulfonamide in 150 ml. methanol was added 6.84 ml_ sulfuric acid. The mixture was refluxed overnight and cooled to room temperature. The mixture was evaporated to dryness and the residue was triturated with Et2O. The formed precipitation was filtered off, washed with Et2O and dried to give 5.2 gram (92%) of a white solid. 1H NMR (400 MHz, CDCI3) delta 3.90 (s, 3H), 7.59 (s, 2H), 7.97 (d, J=5.84 Hz, 2H), 8.15 (d, J=5.84 Hz, 2H).
75% With thionyl chloride; at 0 - 20℃; To a suspension of 4-(aminosulfonyl)benzoic acid (500 mg, 2.5 mmol) in MeOH (2 ml) at O0C is added thionylchloride (0.2 ml, 7.4 mmol). The reaction mixture is stirred at rt overnight. When TLC confirms the total consumption of the starting acid, the solvent and excess thionyl chloride are removed under reduced pressure to afford 400 mg (75 %) of the title compound, which was used in the next step without any further purification. LC/MS: (ES+):215.9, (ES-):214.1.
Reflux; Acidic conditions; Tolylsulfonamide 10 (1.00mM) was first converted to 4-aminosulfonyl benzoic acid by refluxing its aqueous suspension with KMnO4 (3.00mM) to generate the corresponding carboxylic acid followed by refluxing its methanolic solution firstly in acidic condition and then in excess of hydrazine hydrate.37 Yield 74%, lit. mp: 230-232C, Obs. mp: 228-230C.
With thionyl chloride; at 0 - 40℃; for 2h; To the solution of 4-sulfamoylbenzoic acid (200 mg, 0.53 mmol) inMeOH (8 mL) added SOCl2 (1348 muL, 1.84 mmol) at 0 C. The mixturewas stirred at 40 C for 2 h, and then concentrated. Ester (214 mg,1.00 mmol) and (Boc)2O (238 mg, 1.09 mmol) were dissolved in DCM(8 mL). Et3N (138 muL, 1 mmol) and DMAP (12.2 mg, 0.1 mmol) wereadded and the mixture was stirred at rt. for 1.5 h. The solution wasconcentrated and purified to afford methyl 4-(N-(tert-butoxycarbonyl)sulfamoyl)benzoate. DIBAL-H (2 mL, 2 mmol) was added slowly tomethyl benzoate (300 mg, 1.00 mmol) in DCM (8 mL) at -78 C and themixture was stirred at -78 C for 2 h. The reaction was quenched by MeOH (2 mL), and then warmed to 0 C and added 10% citric acidunder stirring. The mixture was extracted with DCM, and the organicswere washed, dried, concentrated and purified to afford 4-formylbenzenesulfonamide.Using 4-formylbenzenesulfonamide, thecompound 44 was obtained from 5 by the general procedure as above.To the solution of 44 (95 mg, 0.20 mmol) in DCM (4 mL) added TFA(300 muL, 0.04 mmol). The mixture was stirred at rt. for 1 h. The solutionwas adjusted to pH 7-8 by NaHCO3. The mixture was extracted withEA, and the organics were washed, dried, concentrated and purified toafford 17, 54% yield for five steps, 94.0% HPLC purity.

  • 3
  • [ 138-41-0 ]
  • [ 91183-71-0 ]
  • 4-methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-butyric acid <i>tert</i>-butyl ester [ No CAS ]
  • 4
  • [ 138-41-0 ]
  • [ 1791-13-5 ]
  • 2-(4-sulfamoyl-benzoylamino)-succinic acid di-<i>tert</i>-butyl ester [ No CAS ]
  • 5
  • [ 138-41-0 ]
  • [ 18107-18-1 ]
  • [ 22808-73-7 ]
YieldReaction ConditionsOperation in experiment
95% In methanol; hexane; dichloromethane; at 20℃; for 2h; . To a stirred suspension of 4- [SULFAMOYL-BENZOIC] acid (25.0 g, 0.124 mol) in 4: 1 CH2CI2/MeOH at rt was added 1.0 M TMSCHN2 in hexane (175 mL), and the reaction mixture was allowed to stir for 2 h. The mixture was diluted with 1 N [NAOH] (100 mL) and CH2CI2 (150 mL), and the layers were separated. The organic layer was dried over [NA2SO4,] then filtered, and the solvent was removed under reduced pressure to afford the desired ester (25.2 g, 95%), which was used without further purification. 1H NMR (400 MHz, DMSO-d6) : 8.14 (d, J = 8.1 Hz, 2H), 7.96 (d, J = 8.1 Hz, 2H), 7.58 (s, 2H), 3.90 (s, 3H).
95% To a stirred suspension of 4-sulfamoyl-benzoic acid (25.0 g, 0.124 mol) in 4:1 CH2CI2/MeOH at rt wasadded 1.0 M TMSCHN2 in hexane (175 ml), and the reaction mixture was20 allowed to stir for 2 h. The mixture was diluted with 1N NaOH (100 ml) andCH2CI2 (150 ml), and the layers were separated. The organic layer was driedover Na2SO4, then filtered, and the solvent was removed under reduced pressure to afford the desired ester (25.2 g, 95%), which was used withoutfurther purification. 1H NMR (400 MHz, DMSO-c/6): 8.14 (d, J = 8.1 Hz, 2H),7.96 (d, J= 8.1 Hz, 2H), 7.58 (s, 2H), 3.90 (s, 3H).
In methanol; hexane; dichloromethane; for 2h; A. 4-Sulfamoyl-benzoic acid methyl ester. To a stirred suspension of 4-sulfamoyl-benzoic acid (25.0 g, 0.124 mol) in 4:1 CH2Cl2/MeOH at rt was added 1.0 M TMSCHN2 in hexane (175 mL), and the reaction mixture was allowed to stir for 2 h. The mixture was diluted with 1 N NaOH (100 mL) and CH2Cl2 (150 mL), and the layers were separated. The organic layer was dried over Na2SO4, then filtered, and the solvent was removed under reduced pressure to afford the desired ester (25.2 g, 95%), which was used without further purification. 1H NMR (400 MHz, DMSO-d6): 8.14 (d, J=8.1 Hz, 2H), 7.96 (d, J=8.1 Hz, 2H), 7.58 (s, 2H), 3.90 (s, 3H).
  • 6
  • conc. H2 SO4 [ No CAS ]
  • [ 138-41-0 ]
  • [ 22808-73-7 ]
YieldReaction ConditionsOperation in experiment
In methanol; Step 2 Preparation of methyl [4-(aminosulfonyl)]benzoate To a solution of 4-(aminosulfonyl)benzoic acid (16 g, 79.6 mmol) (Step 1) in methanol (600 ml), conc. H2 SO4 (1.2 ml) was added and the mixture was heated at reflux for 4 days. The solvent was removed and washed with ether. The white solid (16.5 g, 96%) was used in the next reaction without further purification.
  • 7
  • [ 138-41-0 ]
  • [ 22808-73-7 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In methanol; EXAMPLE 74 4-(Aminosulfonyl)benzoic acid methyl ester A slurry of 30.2 g (0.15 mole) of p-carboxybenzenesulfonamide in 500 ml of methanol was treated with 30 g of anhydrous hydrogen chloride and the mixture was heated at reflux temperature for 3 hr. The solution was concentrated under vacuum to give 32.3 g of white, crystalline residue. A 5.0 g portion of this residue was recrystallized from 25 ml of methanol to give 3.3 g of title compound as a white powder, mp 174-178 C. Analysis: Calculated for C8 H9 NO4 S: C, 44.65; H, 4.22; N, 6.51. Found: C 44.80; H, 4.30; N, 6.47.
With potassium hydroxide; In diethyl ether; water; 8(a) 4-Sulfamoyl-benzoic acid methyl ester. To a solution of KOH (108 mg, 2.0 mmol) in water (1 mL) was added Et2O and cooled to 0 C. MNNG (292 mg, 1.99 mmol) was added and the resulting yellow solution was added to a suspension of 4-Sulfamoyl-benzoic acid in Et2O at room temperature and stirred overnight. The reaction was quenched with acetic acid and the resulting mixture was diluted with water. The mixture was then extracted with ethyl acetate and the combined organic extracts was washed with bine and dried over Na2SO4. Removal of solvent gave the crude product which was used in the next reaction without further purification. 1H NMR (400 MHz, MeOD) delta 8.17 (d, 2H), 8.00 (d, 2H), 3.92 (s, 3H).
  • 8
  • [ 52023-68-4 ]
  • [ 138-41-0 ]
  • [ 1332586-77-2 ]
  • 9
  • [ 138-41-0 ]
  • [ 66137-74-4 ]
  • C11H5F8INO7S2(1-)*K(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% In a 250 ml three-necked flask, 50 ml of deionized water, 0.01 mol of p-carboxybenzenesulfonamide, 0.02 mol of potassium hydroxide, and 0.01 mol of potassium carbonate were added and mixed uniformly; after the temperature was returned to room temperature, 0.0005 mol of octadecyl ether was added, and the mixture was stirred and dissolved. ,Dropped into 50ml dissolved 0.01molA toluene solution of 5-iodo-3-oxa-octafluoropentylsulfonyl fluoride monomer was reacted at 1000 rpm for 0.5 hmin. The reaction product was separated into an aqueous phase, the pH was adjusted to 4 with 5% hydrochloric acid, and ethyl acetate was evaporated.The yield is about 86%. The nuclear magnetic fluorine spectrum of this final product is shown in Fig. 1.
  • 10
  • [ 7210-76-6 ]
  • [ 138-41-0 ]
  • ethyl 2-[(4-sulfamoylphenyl)formyl]amino-4-methylthiazole-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
84.1% General procedure: To a solution of N,N-dimethylformamide (DMF, 5 mL), 4-carboxy-benzenesul- phonamide (5.0 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDCl, 6.0 mmol), and 1-hydroxybenzotriazole (HOBT, 6.0 mmol) were added. The mixture was stirred at room temperature (20-25 C) for 30 min. Then, ethyl 2-aminothiazole-4-carboxylate (6.0 mmol) and 4-dimethylaminopyridine (DMAP, 1.5 mmol) were added to the solution. The reaction was carried out at room temperature (20-25 C) for 24 h. After the reaction was completed, the reaction mixture was extracted with ethyl acetate. The solvent was dried and removed. The obtained solid was purified using column chro- matography (dichloromethane/methanol, 60:1-30:1) to recover compound 2a . The method for synthesizing 2b -2f was the same as that for 2a.Ethyl 2-(4-sulfamoylbenzamido)thiazole-5-carboxylate ( 2a ) . white powder (yield 83.5%), m. p . > 300.0 C;
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 138-41-0 ]

Aryls

Chemical Structure| 636-76-0

[ 636-76-0 ]

3-Sulfamoylbenzoic acid

Similarity: 0.98

Chemical Structure| 22958-64-1

[ 22958-64-1 ]

2-(4-Sulfamoylphenyl)acetic acid

Similarity: 0.84

Chemical Structure| 7326-73-0

[ 7326-73-0 ]

3-(N,N-Dimethylsulfamoyl)benzoic acid

Similarity: 0.83

Chemical Structure| 59777-72-9

[ 59777-72-9 ]

Ethyl 2-sulfamoylbenzoate

Similarity: 0.82

Chemical Structure| 1205-30-7

[ 1205-30-7 ]

4-Chloro-3-sulfamoylbenzoic acid

Similarity: 0.81

Amines

Chemical Structure| 636-76-0

[ 636-76-0 ]

3-Sulfamoylbenzoic acid

Similarity: 0.98

Chemical Structure| 22958-64-1

[ 22958-64-1 ]

2-(4-Sulfamoylphenyl)acetic acid

Similarity: 0.84

Chemical Structure| 7326-73-0

[ 7326-73-0 ]

3-(N,N-Dimethylsulfamoyl)benzoic acid

Similarity: 0.83

Chemical Structure| 59777-72-9

[ 59777-72-9 ]

Ethyl 2-sulfamoylbenzoate

Similarity: 0.82

Chemical Structure| 1205-30-7

[ 1205-30-7 ]

4-Chloro-3-sulfamoylbenzoic acid

Similarity: 0.81

Carboxylic Acids

Chemical Structure| 636-76-0

[ 636-76-0 ]

3-Sulfamoylbenzoic acid

Similarity: 0.98

Chemical Structure| 22958-64-1

[ 22958-64-1 ]

2-(4-Sulfamoylphenyl)acetic acid

Similarity: 0.84

Chemical Structure| 7326-73-0

[ 7326-73-0 ]

3-(N,N-Dimethylsulfamoyl)benzoic acid

Similarity: 0.83

Chemical Structure| 1205-30-7

[ 1205-30-7 ]

4-Chloro-3-sulfamoylbenzoic acid

Similarity: 0.81

Chemical Structure| 2736-23-4

[ 2736-23-4 ]

2,4-Dichloro-5-sulfamoylbenzoic acid

Similarity: 0.76

Sulfamides

Chemical Structure| 636-76-0

[ 636-76-0 ]

3-Sulfamoylbenzoic acid

Similarity: 0.98

Chemical Structure| 22958-64-1

[ 22958-64-1 ]

2-(4-Sulfamoylphenyl)acetic acid

Similarity: 0.84

Chemical Structure| 7326-73-0

[ 7326-73-0 ]

3-(N,N-Dimethylsulfamoyl)benzoic acid

Similarity: 0.83

Chemical Structure| 59777-72-9

[ 59777-72-9 ]

Ethyl 2-sulfamoylbenzoate

Similarity: 0.82

Chemical Structure| 1205-30-7

[ 1205-30-7 ]

4-Chloro-3-sulfamoylbenzoic acid

Similarity: 0.81

; ;