ChemicalBook--->CAS DataBase List--->89581-38-4

89581-38-4

89581-38-4 Structure

89581-38-4 Structure
IdentificationBack Directory
[Name]

Methyl-5-bromo-2 pyrimidine carboxylate
[CAS]

89581-38-4
[Synonyms]

5-Bromopyrimidine-2-carboxylate
Methyl 5-Bromopyrimidine-2-carboxylate
Methyl-5-bromo-2 pyrimidine carboxylate
5-BroMopyriMidin-2-carboxylic acid Methyl ester
5-Bromo-pyrimidine-2-carboxylic acid methyl ester
2-PyriMidinecarboxylic acid, 5-broMo-, Methyl ester
Methyl-5-bromo-2 pyrimidine carboxylate ISO 9001:2015 REACH
5-Bromo-2-(methoxycarbonyl)pyrimidine, 5-Bromo-2-(methoxycarbonyl)-1,3-diazine
[EINECS(EC#)]

239-784-6
[Molecular Formula]

C6H5BrN2O2
[MDL Number]

MFCD11111606
[MOL File]

89581-38-4.mol
[Molecular Weight]

217.03
Chemical PropertiesBack Directory
[Melting point ]

149°C(lit.)
[Boiling point ]

314.4±34.0 °C(Predicted)
[density ]

1.669
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Solid
[pka]

-2.81±0.22(Predicted)
[color ]

White
[InChI]

InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
[InChIKey]

XILAKTMDKMVJQV-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)=NC=C(Br)C=N1
[CAS DataBase Reference]

89581-38-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

29335990
Hazard InformationBack Directory
[Uses]

5-Bromopyrimidine-2-carboxylic Acid Methyl Ester is used in the study of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs)?.
[Synthesis]

Methanol

67-56-1

5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID

37131-87-6

Methyl-5-bromo-2 pyrimidine carboxylate

89581-38-4

5-Bromopyrimidine-2-carboxylic acid (3.22 g, 15.9 mmol) was dissolved in methanol (50 mL) at room temperature and acetyl chloride (4.0 mL, 56.3 mmol) was slowly added. The reaction mixture was heated to reflux, maintained for 15 min and then cooled to room temperature. Subsequently, the reaction mixture was concentrated under reduced pressure to remove the solvent. The concentrated mixture was diluted with saturated sodium bicarbonate solution (30 mL) and ethyl acetate and transferred to a partition funnel for separation. The aqueous phase was extracted repeatedly with ethyl acetate (4 x 30 mL) and all organic phases were combined. The organic phase was washed with saturated brine (1 × 30 mL), dried over anhydrous magnesium sulfate, filtered and concentrated to give methyl 5-bromo-2-pyrimidinecarboxylate (2.30 g, 10.6 mmol, 67% yield) as a white solid. Analyzed by LC/MS (ESI), m/z = 216.9 ([M+H]+) was measured, which is consistent with the calculated value of molecular weight 216.0 for C6H5BrN2O2.

[References]

[1] Patent: WO2014/138484, 2014, A1. Location in patent: Page/Page column 185; 186
[2] Patent: WO2016/22724, 2016, A1. Location in patent: Page/Page column 328
[3] Patent: WO2005/28452, 2005, A1. Location in patent: Page/Page column 88
[4] Patent: US2010/216806, 2010, A1. Location in patent: Page/Page column 96
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl-5-bromo-2 pyrimidine carboxylate(89581-38-4)1HNMR
89581-38-4 suppliers list
Company Name: Hangzhou Copiore Chemical Co., Ltd.  Gold
Telephone: 17300981287 13757145729
Website: www.copiore.om
Company Name: Shandong Bailong Pharmaceutical Co., Ltd.  Gold
Telephone: 15562090112
Website: http://www.bailongpharm.com/about/id/1.html
Company Name: Hebei duofang Technology Co. , Ltd.  Gold
Telephone: 13127301785
Website: www.chemicalbook.com/supplier/25173124/
Company Name: Shaoyuan Technology (Shanghai) Co., Ltd.  Gold
Telephone: 021-50795510 4000665055
Website: https://www.shao-yuan.com
Company Name: Guangzhou Co-integrity Pharmaceutical Technology Co., Ltd.  Gold
Telephone: 13660719760
Website:
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Tetranov Biopharm  
Telephone: 13526569071
Website: http://www.leadmedpharm.com/index.html
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: China DongFan Chemical Co.,LTD  
Telephone: 86-0571-85151182
Website: www.chemicalbook.com/ShowSupplierProductsList14819/0_EN.htm
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: China Langchem Inc.  
Telephone: 0086-21-58956006
Website: www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm
Company Name: Shanghai ZaiQi Bio-Tech Co., Ltd.  
Telephone: +86-021-54824098 15317552526
Website: https://www.chemzq.com/en/product.html
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: 021-58170097
Website: www.topbiochem.com
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 86(512)5235 8471 17715136450
Website: www.shiyabiopharm.com
Tags:89581-38-4 Related Product Information
77199-09-8 1197193-30-8 405224-22-8 36760-19-7 90271-86-6 53388-86-6 16429-44-0 868694-19-3 1214377-57-7 76041-79-7 947249-13-0 1109230-25-2 951626-91-8 335033-38-0 5744-68-3 381233-75-6 578007-66-6 325800-39-3