3-Chloro-2-oxopropanoic acid

Base Information

• Chemical Name: 3-Chloro-2-oxopropanoic acid
• CAS No.: 3681-17-2
• Molecular Formula: C3H3 Cl O3
• Molecular Weight: 122.508
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70190285
• Nikkaji Number: J668.312F
• Wikidata: Q83062624
• Mol file: 3681-17-2.mol

Synonyms:chloropyruvate;chloropyruvic acid

Chemical Property of 3-Chloro-2-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 0.0972mmHg at 25°C
• Melting Point: 45 °C
• Boiling Point: 206.2°C at 760 mmHg
• PKA: 1.95±0.54(Predicted)
• Flash Point: 78.5°C
• PSA: 54.37000
• Density: 1.509g/cm³
• LogP: -0.12110
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 121.9770716
• Heavy Atom Count: 7
• Complexity: 98.4

Purity/Quality:

98% ^*data from raw suppliers

3-CHLOROPYRUVIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)C(=O)O)Cl

Technology Process of 3-Chloro-2-oxopropanoic acid

There total 7 articles about 3-Chloro-2-oxopropanoic 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:

hydrogenchloride (7647-01-0,15364-23-5) + 3-chloro-4,5-dioxo-2-phenyl-tetrahydro-furan-3-carboxylic acid ethyl ester (408326-06-7) → 4-chloro-5-phenyl-dihydro-furan-2,3-dione + benzaldehyde (100-52-7) + 3-chloropyruvic acid (3681-17-2)

Guidance literature:

Reference yield:

2-oxo-propionic acid (127-17-3) → 3-chloropyruvic acid (3681-17-2)

Guidance literature:

With sulfuryl dichloride;

Reference yield:

Sodium; 3-diazo-2-oxo-propionate → 3-chloropyruvic acid (3681-17-2)

Guidance literature:

With hydrogenchloride; In benzene;

upstream raw materials:

methyl 3-chloro-2-oxo-propanoate

2-oxo-propionic acid

diethyl 3-chloro-2-oxosuccinate

hydrogenchloride

Downstream raw materials:

3-hydroxy-6-methoxy-quinoline-4-carboxylic acid

D-β-Chlorolactic acid

N,N-Bis-(2-chloraethyl)-β-amino-brenztraubensaeure

3-chloro-2,2-diphenyl-propionic acid

Refernces

• 1、 -. "TRICYCLIC ANTIBIOTICS". Page/Page column 58. . Retrieved 2013/02/28.
• 2、 Zalesov, V. V.,Vyaznikova, N. G.,Shurov, S. N.,Andreichikov, Yu. S.. "Chemistry of Diazopolycarbonyl Compounds. I. Synthesis and Chemical Properties of Alkyl 3-Diazo-2-oxopropionates". . p. 1005 - 1010. Retrieved 2007/10/03.