3-Chloro-2-hydroxypropanoic acid

Base Information

• Chemical Name: 3-Chloro-2-hydroxypropanoic acid
• CAS No.: 1713-85-5
• Deprecated CAS: 50906-02-0,861773-84-4
• Molecular Formula: C3H5ClO3
• Molecular Weight: 124.524
• Hs Code.: 2918199090
• European Community (EC) Number: 216-993-0
• UNII: M4Y6UA6H9U
• DSSTox Substance ID: DTXSID10883745
• Nikkaji Number: J203.107H
• Wikidata: Q27147463
• Mol file: 1713-85-5.mol

Synonyms:3-chloro lactate;3-chlorolactate;3-chlorolactate monosodium;3-chlorolactate, (+-)-isomer;beta-chlorolactate

Chemical Property of 3-Chloro-2-hydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 0.00188mmHg at 25°C
• Melting Point: 77 °C
• Refractive Index: 1.493
• Boiling Point: 259.5 °C at 760 mmHg
• PKA: 3.23±0.11(Predicted)
• Flash Point: 110.8 °C
• PSA: 57.53000
• Density: 1.519 g/cm³
• LogP: -0.32930
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.9927217
• Heavy Atom Count: 7
• Complexity: 72.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Chlorolactic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)O)Cl

Technology Process of 3-Chloro-2-hydroxypropanoic acid

There total 18 articles about 3-Chloro-2-hydroxypropanoic 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: 66.0%

3-monochloro-1,2-propanediol (96-24-2) → 3-chloro-2-hydroxypropanoic acid (1713-85-5)

Guidance literature:

With nitric acid; at 80 - 100 ℃; for 0.833333h;

DOI:10.1039/c8sc00004b

Reference yield: 52.0%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 3-chloro-2-hydroxypropanoic acid (1713-85-5)

Guidance literature:

With nitric acid; at 100 ℃; for 12.5h; Cooling with ice;

Reference yield: 40.0%

2,3-dichloropropanoic acid (565-64-0) → D-3-chlorolactic acid (1713-85-5,50906-02-0,61505-41-7,82079-44-5) + D-2,3-dichloropropionic acid (565-64-0,128475-09-2)

Guidance literature:

at 30 ℃; for 48h; transformation by L-2-halo acid dehalogenase from Pseudomonas putida; buffered pH 8.0;

upstream raw materials:

2-chloroethanal

hydrogen cyanide

potassium cyanide

glyceric acid

Downstream raw materials:

phosphoenolpyruvic acid

methyl β-chlorolactate

3-chloro-2-hydroxy-propionic acid isobutyl ester

glyceric acid