(S)-methyl-2-bromo-3-hydroxypropanoate

Base Information

• Chemical Name: (S)-methyl-2-bromo-3-hydroxypropanoate
• CAS No.: 7691-28-3
• Molecular Formula: C4H7BrO3
• Molecular Weight: 183.002
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID10474879
• Nikkaji Number: J2.383.835D
• Mol file: 7691-28-3.mol

Synonyms:(S)-methyl-2-bromo-3-hydroxypropanoate

Chemical Property of (S)-methyl-2-bromo-3-hydroxypropanoate

Chemical Property:

• Boiling Point: 245.043 °C at 760 mmHg
• PKA: 13.45±0.10(Predicted)
• Flash Point: 101.998 °C
• PSA: 46.53000
• Density: 1.677 g/cm³
• LogP: -0.08480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.95786
• Heavy Atom Count: 8
• Complexity: 83.4

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl2-bromo-3-hydroxypropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CO)Br

Technology Process of (S)-methyl-2-bromo-3-hydroxypropanoate

There total 9 articles about (S)-methyl-2-bromo-3-hydroxypropanoate 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: 87.0%

methanol (67-56-1) + acide 2-bromo-3-hydroxy propanoique (160732-12-7) → methyl (+/-)-2-bromo-3-hydroxypropanoate (7691-28-3)

Guidance literature:

With hydrogen bromide; In water; at 65 ℃; for 21h;

DOI:10.1055/s-0030-1258497

Reference yield: 84.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl (+/-)-2-bromo-3-hydroxypropanoate (7691-28-3)

Guidance literature:

With dibromamine-T; In water; acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1021/jo0600611

Reference yield: 68.0%

→ methyl (+/-)-2-bromo-3-hydroxypropanoate (7691-28-3)

Guidance literature:

upstream raw materials:

methanol

acide 2-bromo-3-hydroxy propanoique

acrylic acid methyl ester

diazomethane

Downstream raw materials:

(RS)-N-benzylserine

methyl 3-hydroxy-2-(2-((4-methylbenzoyl)imino)benzo[d]thiazol-3(2H)-yl)propanoate

methyl 3-hydroxy-2-(2-((3-(trifluoromethyl)benzoyl)imino)benzo[d]thiazol-3(2H)-yl)propanoate

methyl 2-(2-((3-chlorobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)-3-hydroxypropanoate

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