2-Bromopropionic acid

Base Information

• Chemical Name: 2-Bromopropionic acid
• CAS No.: 598-72-1
• Deprecated CAS: 10327-08-9
• Molecular Formula: C3H5BrO2
• Molecular Weight: 152.975
• Hs Code.: 29159080
• European Community (EC) Number: 209-947-6
• NSC Number: 172
• UNII: UE0XVY2DT6
• DSSTox Substance ID: DTXSID9027233
• Nikkaji Number: J480D,J631I
• Wikidata: Q27291037
• ChEMBL ID: CHEMBL3182324
• Mol file: 598-72-1.mol

Synonyms:2-bromopropionic acid;2-bromopropionic acid, (DL)-isomer;alpha-bromopropionate

Chemical Property of 2-Bromopropionic acid

Chemical Property:

• Appearance/Colour: clear colorless to yellowish liquid after melting
• Vapor Pressure: 0.12mmHg at 25°C
• Melting Point: 25.7 °C
• Refractive Index: n20/D 1.475(lit.)
• Boiling Point: 202.6 °C at 760 mmHg
• PKA: pK1: 2.971 (25°C)
• Flash Point: 76.3 °C
• PSA: 37.30000
• Density: 1.773 g/cm³
• LogP: 0.85440
• Storage Temp.: room temp
• Water Solubility.: soluble
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.94729
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

2-Bromopropionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,F
• Hazard Codes: C,Xi,F
• Statements: 22-34-40-36/37/38-38-11
• Safety Statements: 26-36/37/39-45-36-16-24-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CC(C(=O)O)Br
• Uses: It is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds. 2-Bromopropionic Acid is a versatile reactant used in emulsion polymerization in the preparation of reversible addition-fragmentation chain transfer (RAFT) agent.

Technology Process of 2-Bromopropionic acid

There total 34 articles about 2-Bromopropionic 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: 89.0%

propionic acid (802294-64-0,79-09-4) → 2-Bromopropionic acid (598-72-1,10327-08-9)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; In trifluoroacetic acid; at 85 ℃; for 16h;

DOI:10.1016/S0040-4039(98)02204-7

Reference yield: 88.0%

2-bromo-2-propenoic acid (10443-65-9) → 2-Bromopropionic acid (598-72-1,10327-08-9)

Guidance literature:

With phenylsilane; C₁₂H₂₃N₂O₂P; In tetrahydrofuran; at 23 ℃; for 2h;

DOI:10.1002/cctc.202000662

Reference yield: 77.0%

rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → 2-Bromopropionic acid (598-72-1,10327-08-9)

Guidance literature:

With pyridinium polyhydrogen fluoride; potassium bromide; sodium nitrite; for 48h; Ambient temperature;

DOI:10.1002/hlca.19830660404

upstream raw materials:

LACTIC ACID

1,1-dibromopropene

carbon tetrabromide

propionic acid

Downstream raw materials:

Methyl 2-bromopropionate

2-(5-chloro-1(3)H-benzimidazol-2-ylmercapto)-propionic acid

(+/-)-2-(4-ethylphenoxy)propanoic acid

4-(2-bromo-propionyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

Refernces

• 1、 -. "CATALYSTS FOR MAKING ACRYLIC ACID FROM LACTIC ACID OR ITS DERIVATIVES IN LIQUID PHASE". Page/Page column 66. . Retrieved 2018/02/28.
• 2、 -. "METHOD OF MAKING ACRYLIC ACID FROM LACTIC ACID OR LACTIDE USING MOLTEN SALT CATALYSTS". Page/Page column 32-37; 39; 40; 41. . Retrieved 2018/09/28.