3-Bromo-2-methylpropionic Acid

Base Information

• Chemical Name: 3-Bromo-2-methylpropionic Acid
• CAS No.: 56970-78-6
• Molecular Formula: C4H7 Br O2
• Molecular Weight: 167.002
• Hs Code.: 2915900090
• European Community (EC) Number: 641-710-6,684-908-8
• NSC Number: 201472
• UNII: 07304AI75I
• Nikkaji Number: J106.047C
• Wikidata: Q27236247
• Mol file: 56970-78-6.mol

Synonyms:56970-78-6;3-bromo-2-methylpropanoic acid;3-Bromo-2-methylpropionic Acid;3-Bromoisobutyric Acid;Captopril EP Impurity D;Propanoic acid, 3-bromo-2-methyl-;NSC201472;07304AI75I;NSC-201472;3-bromo-2-methylpropanoicacid;2-methyl-3-bromopropionic acid;UNII-07304AI75I;SCHEMBL348640;BUPXDXGYFXDDAA-UHFFFAOYSA-N;.BETA.-BROMOISOBUTANOIC ACID;MFCD01310530;AKOS006346217;CS-W016048;HY-W015332;(2RS)-3-Bromo-2-methyl-propanoic Acid;AS-10606;CAPTOPRIL IMPURITY D [EP IMPURITY];PROPIONIC ACID, 3-BROMO-2-METHYL-;B2571;FT-0612936;(2RS)-3-BROMO-2-METHYLPROPANOIC ACID;(+/-)-3-BROMO-2-METHYLPROPIONIC ACID;EN300-147245;A869793;Q27236247;Z1201620907;Captopril Imp. D (EP);Captopril Impurity D

Chemical Property of 3-Bromo-2-methylpropionic Acid

Chemical Property:

• Vapor Pressure: 1.25mmHg at 25°C
• Melting Point: 173 °C (decomp)
• Refractive Index: 1.4750-1.4790
• Boiling Point: 230.5°Cat760mmHg
• PKA: 4.09±0.10(Predicted)
• Flash Point: 93.2°C
• PSA: 37.30000
• Density: 1.625g/cm³
• LogP: 1.10200
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.96294
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-2-methylpropionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CBr)C(=O)O
• Uses: 3-Bromo-2-methylpropionic Acid is used in the preparation of captopril selenium analogs as antioxidants and ACE inhibitors used as antihypertensive drugs.

Technology Process of 3-Bromo-2-methylpropionic Acid

There total 3 articles about 3-Bromo-2-methylpropionic 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: 91.0%

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) → 3-bromo-2-methylpropionic acid (56970-78-6)

Guidance literature:

With bromine; acetic acid;

DOI:10.1246/bcsj.65.3094

Reference yield: 60.0%

3-bromo-2-methyl-propionic acid methyl ester (20609-71-6) → 3-bromo-2-methylpropionic acid (56970-78-6)

Guidance literature:

With bis(tri-n-butyltin)oxide; In toluene; at 111 ℃; for 48h;

DOI:10.1016/S0040-4020(01)90225-X

Reference yield:

→ 3-bromo-2-methylpropionic acid (56970-78-6)

Guidance literature:

Methacrylsaeure, HBr, Hydrochinon, Eg.;

upstream raw materials:

poly(methacrylic acid)

3-bromo-2-methyl-propionic acid methyl ester

Downstream raw materials:

poly(methacrylic acid)

2-methyl-3-sulfanylpropanoic acid

3-bromo-2-methylpropanoyl chloride

hydrogen bromide