5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: 5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID
• CAS No.: 37131-87-6
• Molecular Formula: C5H3BrN2O2
• Molecular Weight: 202.995
• Hs Code.: 2933599090
• European Community (EC) Number: 894-004-7
• DSSTox Substance ID: DTXSID10586108
• Nikkaji Number: J3.440.785A
• Wikidata: Q72512203
• Mol file: 37131-87-6.mol

Synonyms:5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID;5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID, 95+%;5-BroMo-2-pyriMidinecarboxylic acid

Chemical Property of 5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 193-198℃
• Refractive Index: 1.627
• Boiling Point: 419.698 °C at 760 mmHg
• PKA: 2.85±0.10(Predicted)
• Flash Point: 207.626 °C
• PSA: 63.08000
• Density: 1.941 g/cm³
• LogP: 0.93730
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.93779
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

5-Bromopyrimidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)C(=O)O)Br
• Uses: 5-Bromopyrimidine-2-carboxylic acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Technology Process of 5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID

There total 6 articles about 5-BROMOPYRIMIDINE-2-CARBOXYLIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-methylpyrimidine (5053-43-0) → 5-bromo-2-pyrimidinecarboxylic acid (37131-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; acetic acid; bromine

2: AgNO₃

With bromine; sodium acetate; silver nitrate; acetic acid;

Reference yield:

5-bromopyrimidine-2-carbonitrile (38275-57-9) → 5-bromo-2-pyrimidinecarboxylic acid (37131-87-6)

Guidance literature:

With sodium hydroxide; water; at 60 ℃; for 1h; Heating;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 5-bromo-2-iodopyrimidine (183438-24-6) → 5-bromo-2-pyrimidinecarboxylic acid (37131-87-6)

Guidance literature:

5-bromo-2-iodopyrimidine; With n-butyllithium; In hexane; toluene; at -78 ℃; for 1h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jm900773n

upstream raw materials:

5-bromo-2-tribromomethyl-pyrimidine

5-bromo-2-trans-styryl-pyrimidine

2-methylpyrimidine

5-bromopyrimidine-2-carbonitrile

Downstream raw materials:

5-bromopyrimidine

pyrimidine-2-carboxylic acid

5-Phenylpyrimidine-2-carboxylic acid

5-bromopyridine-2-carboxylic acid chloride

Refernces

• 1、 -. "2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS". Page/Page column 102-103. . Retrieved 2010/11/25.