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. 36082-50-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 36082-50-5
Chemical Structure| 36082-50-5
Structure of 36082-50-5 * 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 [ 36082-50-5 ]

Related Doc. of [ 36082-50-5 ]

Alternatived Products of [ 36082-50-5 ]
Product Citations

Product Details of [ 36082-50-5 ]

CAS No. :36082-50-5 MDL No. :MFCD00127818
Formula : C4HBrCl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :SIKXIUWKPGWBBF-UHFFFAOYSA-N
M.W : 227.87 Pubchem ID :289973
Synonyms :

Calculated chemistry of [ 36082-50-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.75
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.98
Log Po/w (XLOGP3) : 2.82
Log Po/w (WLOGP) : 2.55
Log Po/w (MLOGP) : 1.6
Log Po/w (SILICOS-IT) : 3.03
Consensus Log Po/w : 2.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.52
Solubility : 0.0684 mg/ml ; 0.0003 mol/l
Class : Soluble
Log S (Ali) : -3.02
Solubility : 0.218 mg/ml ; 0.000957 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.74
Solubility : 0.0411 mg/ml ; 0.00018 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.79

Safety of [ 36082-50-5 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P261-P280-P301+P310-P305+P351+P338-P310 UN#:2923
Hazard Statements:H301+H311+H331-H314-H317 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 36082-50-5 ]

* 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 [ 36082-50-5 ]

[ 36082-50-5 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 36082-50-5 ]
  • [ 140645-23-4 ]
  • [ 1190707-35-7 ]
YieldReaction ConditionsOperation in experiment
97% With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at -70 - 20℃; (4.1.1 ) (f?)-te/f-butyl 3-((5-bromo-2-chloropyrimidin-4-ylamino)methyl)piperidine-1- carboxylate. <n="42"/> To a stirred solution of 5-bromo-2,4-dichloropyrimidine (0.25 g, 1.097 mmol) in THF (8 mL) at -700C was added dropwise a solution of (3R)-3-(aminomethyl)-1-(t- butoxycarbonyl)piperidine (3.0 g, 14 mmol) and DIEA (0.248 mL, 1.426 mmol) in THF (50 mL). The reaction mixture was stirred at -700C and then allowed to warm up to room temperature overnight. The reaction mixture was diluted with EtOAc and washed with saturated NH4CI solution (1x) and brine (1x). The organic layer was dried (Na2SO4), filtered and concentrated in vacuo. The crude product was purified by column chromatography (SiO2, heptane/EtOAc; 10% to 50% EtOAc as mobile phase) and the title compound was obtained in 97% yield (0.43 g, 1.067 mmol). LC-MS: peak at 4.03 min., mass [M+H] = 405.
  • 2
  • [ 36082-50-5 ]
  • [ 149423-70-1 ]
  • [ 1192712-36-9 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20.0℃; for 20.0h; To a mixture of 2,4-dichloro-5-bromopyrimidine (244 mg, 1.07 mmol) and benzyl (ls,4s)-4-aminocyclohexylcarbamate (266 mg, 1.07 mmol) in CH3CN (5 mL), DIEA (0.373 <n="192"/>mL, 2.14 mmol) was added. The mixture was stirred at room temperature for 20 h. Water and EtOAc were added. The organic phase was separated, washed with IN HCl, then with 5% NaHCCbeta, dried over Na2SO4, concentrated in vacuo to give benzyl (ls,4s)-4-(5-bromo-2- chloropyrimidin-4-ylamino)cyclohexylcarbamate
  • 3
  • [ 36082-50-5 ]
  • [ 1197953-47-1 ]
  • [ 1407520-11-9 ]
YieldReaction ConditionsOperation in experiment
66% With potassium carbonate;tetra(n-butyl)ammonium hydrogensulfate; In N,N-dimethyl-formamide; at 65℃; for 7.0h; Step 1 : Synthesis of 26A suspension of 5-bromo- 2,4-dichloropyrimidine (2.8 g, 12.3 mmol, 1.0 eq), 2- dimethylphosphonylbenzeneamine (2.08 g, 12.3 mmol, 1.0 eq), K2C03 (2.04 g, 14.8 mmol, 1 .2 eq), and nBu4HS04 (417 mg, 1 .23 mmol, 0.1 eq) in 50 mL of DMF was stirred at 65 °C for 7 hours and cooled to room temperature. After a filtration, the filtrate was evaporated to an oil, which was chromatographed (DCM/MeOH 20: 1 ) to give a yellow solid, 2.9 g, in 66percent yield.
66% With tetrabutylammonium hydrogensulfate; potassium carbonate; In N,N-dimethyl-formamide; at 65℃; for 7.0h; A suspension of 5-bromo- 2,4-dichloropyrimidine (2.8 g, 12.3 mmol, 1.0 eq), 2- dimethylphosphonylbenzeneamine (2.08 g, 12.3 mmol, 1.0 eq), K2CO3 (2.04 g, 14.8 mmol, 1.2 eq), and nBu4HS04 (417 mg, 1.23 mmol, 0.1 eq) in 50 mL of DMF was stirred at 65 °C for 7 hours and cooled to room temperature. After a filtration, the filtrate was evaporated to an oil, which was chromatographed (DCM/MeOH 20:1 ) to give a yellow solid, 2.9 g, in 66percent yield.
  • 4
  • [ 36082-50-5 ]
  • [ 5635-98-3 ]
  • 5-bromo-2-chloro-4-(2-(methoxymethyl)phenoxy)pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 80℃; for 0.166667h;Microwave irradiation; Example 273: Preparation of 5-bromo-2-chloro-4-(2-(methoxymethyl)phenoxy)pyrimidine5-Bromo-2,4-dichloropyrimidine (0.150 g, 0.658 mmol), <strong>[5635-98-3]2-(methoxymethyl)phenol</strong> (0.091 g, 0.658 mmol) and N-ethyl-N-isopropylpropan-2-amine (0.1 15 ml, 0.658 mmol) were mixed in acetonitrile (3 ml). The mixture was microwaved at 80 C for 10 min and then concentrated and used as-is. MS calcd for [Ci2H10BrClN2O2+H]+: 328.97, found 328.70.
  • 5
  • [ 36082-50-5 ]
  • [ 162167-97-7 ]
  • 3-[(5-bromo-2-chloropyrimidin-4-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
31% 5-Bromo-2,4-dichloro-pyrimidine (2.12 g; 9.33 mmol; 2.00 eq.) was added to a suspension of NaH (134 mg; 5.6 mmol; 1.20 eq.) in THF (16 mL) maintained at 0°C. The reaction mixture was stilTed for 5 mm before the addition of 3-Aminomethyl-piperidine-1- carboxylic acid tert-butyl ester (1.0 g; 4.67 mmol; 1.00 eq.). It was then stilTed at 0°C overnight, diluted with methanol, filtered through a celite pad and concentrated. Purification by flash chromatography on silica (EtOAc:Hexane, gradient from 0 to 100percent then MeOH:DCM, gradient from 0 to 20percent) afforded the title compound in the second eluting fraction as a white powder (587 mg, 3 1percent). 1H NMR (400 MHz, Chloroform-d) oe 8.22 (s, 1H), 4.84 (brs, 1H), 4.37 - 4.12 (m, 2H), 3.25 - 3.09 (m, 2H), 3.03 (m, 1H), 2.99 - 2.86 (m, 1H), 1.90 (m, 2H), 1.81 (m, 1H), 1.67 (m, 1H), 1.46 (s, 9H), 1.32 (m, 1H). LC/MS: 405.0 (M+1).
  • 6
  • [ 36082-50-5 ]
  • [ 135124-71-9 ]
  • 5-(((5-bromo-2-chloropyrimidin-4-yl)oxy)methyl)nicotinonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% To a stirred solution of <strong>[135124-71-9]5-(hydroxymethyl)nicotinonitrile</strong> (0.59 g, 4.3 mmol) in THF (20 mL) at 0C, sodium hydride (0.26 g, 60% in mineral oil, 6.5 mmol) was added and stirred at 0C for 30 minutes. To this mixture, a solution of 5-bromo-2,4- dichloropyrimidine (1.0 g, 4.3 mmol) in THF (5 mL) was added and the reaction mixture was stirred at room temperature for 5 h. After completion, the reaction was quenched with ice cold water (100 mL) and extracted with 10% IPA in chloroform (4 x 100 mL). The combined organic layer was dried over sodium sulphate and concentrated. The crude was purified by column chromatography (silicagel, 100-200) using 5% MeOH in DCM to obtain 5-(((5-bromo-2-chloropyrimidin-4- yl)oxy)methyl)nicotinonitrileas yellow solid (Yield: 1.0 g, 70%). NMR (400 MHz, DMSO-de): delta 5.59 (s, 2H), 8.43 (s, 1H), 8.80 (s, 1H), 9.00 (s, 1H), 9.05 (s, 1H). HPLC purity 214 nm: 97.07%.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 36082-50-5 ]

Bromides

Chemical Structure| 56181-39-6

[ 56181-39-6 ]

5-Bromo-4-chloropyrimidine

Similarity: 0.85

Chemical Structure| 63931-21-5

[ 63931-21-5 ]

5-Bromo-2,4,6-trichloropyrimidine

Similarity: 0.85

Chemical Structure| 32779-36-5

[ 32779-36-5 ]

5-Bromo-2-chloropyrimidine

Similarity: 0.80

Chemical Structure| 1044767-99-8

[ 1044767-99-8 ]

5-Bromo-4-chloropyrimidin-2-amine

Similarity: 0.76

Chemical Structure| 68797-61-5

[ 68797-61-5 ]

5-Bromo-4,6-dichloropyrimidine

Similarity: 0.75

Chlorides

Chemical Structure| 56181-39-6

[ 56181-39-6 ]

5-Bromo-4-chloropyrimidine

Similarity: 0.85

Chemical Structure| 63931-21-5

[ 63931-21-5 ]

5-Bromo-2,4,6-trichloropyrimidine

Similarity: 0.85

Chemical Structure| 32779-36-5

[ 32779-36-5 ]

5-Bromo-2-chloropyrimidine

Similarity: 0.80

Chemical Structure| 3934-20-1

[ 3934-20-1 ]

2,4-Dichloropyrimidine

Similarity: 0.76

Chemical Structure| 1044767-99-8

[ 1044767-99-8 ]

5-Bromo-4-chloropyrimidin-2-amine

Similarity: 0.76

Related Parent Nucleus of
[ 36082-50-5 ]

Pyrimidines

Chemical Structure| 56181-39-6

[ 56181-39-6 ]

5-Bromo-4-chloropyrimidine

Similarity: 0.85

Chemical Structure| 63931-21-5

[ 63931-21-5 ]

5-Bromo-2,4,6-trichloropyrimidine

Similarity: 0.85

Chemical Structure| 32779-36-5

[ 32779-36-5 ]

5-Bromo-2-chloropyrimidine

Similarity: 0.80

Chemical Structure| 3934-20-1

[ 3934-20-1 ]

2,4-Dichloropyrimidine

Similarity: 0.76

Chemical Structure| 1044767-99-8

[ 1044767-99-8 ]

5-Bromo-4-chloropyrimidin-2-amine

Similarity: 0.76

; ;