3-Chloro-2-hydroxy-2-methylpropanoic acid

Base Information

• Chemical Name: 3-Chloro-2-hydroxy-2-methylpropanoic acid
• CAS No.: 13881-41-9
• Molecular Formula: C4H7 Cl O3
• Molecular Weight: 138.551
• Hs Code.: 2918199090
• European Community (EC) Number: 604-096-0
• NSC Number: 48099
• DSSTox Substance ID: DTXSID40286866
• Mol file: 13881-41-9.mol

Synonyms:3-chloro-2-hydroxy-2-methylpropanoic acid;13881-41-9;EC 604-096-0;3-CHLORO-2-HYDROXY-2-METHYL-PROPANOIC ACID;NSC 48099;NSC48099;SCHEMBL5697455;DTXSID40286866;NSC-48099;AKOS006376240;alpha-chloromethyl-alpha-hydroxypropionic acid

Chemical Property of 3-Chloro-2-hydroxy-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Boiling Point: 254.2°C at 760 mmHg
• Flash Point: 107.5°C
• PSA: 57.53000
• Density: 1.411g/cm³
• LogP: 0.06080
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.0083718
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)(C(=O)O)O

Technology Process of 3-Chloro-2-hydroxy-2-methylpropanoic acid

There total 14 articles about 3-Chloro-2-hydroxy-2-methylpropanoic 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:

1,6-dichloro-2,5-dimethyl-hex-3-yne-2,5-diol (412013-31-1) + acetone (67-64-1) → formic acid (64-18-6) + 3-chloro-2-methyl-2-hydroxypropionic acid (13881-41-9) + chloroacetone (78-95-5)

Guidance literature:

Reference yield:

3-bromomethyl-3-methyl-tetrahydro-pyrrolo[2,1-c][1,4]oxazine-1,4-dione (927203-28-9) → (2S)-3-chloro-2-hydroxy-2-methylpropanoic acid (13881-41-9) + (S)-(-)-3-bromo-2-hydroxy-2-methylpropanoic acid (106089-20-7)

Guidance literature:

With hydrogenchloride; Title compound not separated from byproducts.; Heating;

DOI:10.1021/jm990027x

Reference yield:

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) → α-chloro-β-hydroxy-isobutyric acid (54051-02-4) + 3-chloro-2-methyl-2-hydroxypropionic acid (13881-41-9)

Guidance literature:

With water; hypochloric acid; at -5 ℃;

upstream raw materials:

poly(methacrylic acid)

β-chloro-α-hydroxy-isobutyronitrile

1,6-dichloro-2,5-dimethyl-hex-3-yne-2,5-diol

α-acetoxy-β-chloro-isobutyric acid methyl ester

Downstream raw materials:

2-methylglyceric acid