3,3,3-Trichlorolactic acid

Base Information

• Chemical Name: 3,3,3-Trichlorolactic acid
• CAS No.: 599-01-9
• Molecular Formula: C3H3 Cl3 O3
• Molecular Weight: 193.414
• European Community (EC) Number: 209-962-8
• NSC Number: 404112
• DSSTox Substance ID: DTXSID40870663
• Nikkaji Number: J135.773E
• Mol file: 599-01-9.mol

Synonyms:3,3,3-Trichlorolactic acid;3,3,3-trichloro-2-hydroxypropanoic acid;599-01-9;EINECS 209-962-8;Trichlormilchsaure;NSC404112;C3H3Cl3O3;SCHEMBL8075235;C3-H3-Cl3-O3;DTXSID40870663;AKOS006273002;NSC 404112;NSC-404112

Chemical Property of 3,3,3-Trichlorolactic acid

Chemical Property:

• Vapor Pressure: 0.0303mmHg at 25°C
• Melting Point: 125°C
• Refractive Index: 1.4521 (estimate)
• Boiling Point: 216.4°Cat760mmHg
• PKA: pK1:2.34 (25°C)
• Flash Point: 84.7°C
• PSA: 57.53000
• Density: 1.846g/cm³
• LogP: 0.80210
• Water Solubility.: 438g/L(25 oC)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.914777
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

3,3,3-TRICHLOROLACTIC 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)O)(C(Cl)(Cl)Cl)O

Technology Process of 3,3,3-Trichlorolactic acid

There total 13 articles about 3,3,3-Trichlorolactic 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: 80.0%

1,1,1-trichloro-2,3-epoxypropane (3083-23-6,169059-93-2) → 3,3,3-trichloro-2-hydroxy-propionic acid (599-01-9)

Guidance literature:

With nitric acid; copper; 1.) r.t., 12 h, 2.) 60-80 deg C, 12 h;

DOI:10.1016/S0022-1139(97)00051-1

Reference yield:

chloral hydrate (302-17-0) + carbon monoxide (201230-82-2) → 3,3,3-trichloro-2-hydroxy-propionic acid (599-01-9) + trans-2,5-bis(trichloromethyl)-1,3-dioxolan-4-one (554-21-2,85121-67-1,92387-22-9,111728-36-0)

Guidance literature:

With sulfuric acid; at 47 ℃; for 7h; under 38000 Torr;

DOI:10.1016/0040-4020(95)00516-B

Reference yield:

chloral hydrate (302-17-0) + carbon monoxide (201230-82-2) → 3,3,3-trichloro-2-hydroxy-propionic acid (599-01-9) + trans-2,5-bis(trichloromethyl)-1,3-dioxolan-4-one (554-21-2,85121-67-1,92387-22-9,111728-36-0) + cis-2,5-bis(trichloromethyl)-1,3-dioxolan-4-one

Guidance literature:

With sulfuric acid; at 47 ℃; for 0.4h; under 38000 Torr; Yields of byproduct given;

DOI:10.1016/0040-4020(95)00516-B

upstream raw materials:

3,3,3-trichloro-2-hydroxy-propionitrile

1,1,1,6,6,6-hexachloro-hex-3-yne-2,5-diol

3,3,3-trichloro-2-hydroxy-propionic acid propylamide

3,3,3-trichloro-2-hydroxy-propionic acid anilide

Downstream raw materials:

glycoluril

uric Acid

glyoxal bis(phenylhydrazone)

dichloro-acetic acid

Refernces

• 1、 Ould Amanetoullah,Chaabouni,Baklouti. "Synthesis of F-alkyl α-hydroxy acids and esters from F-alkyl epoxides and F-alkyl α-bromo acids and esters from F-alkyl bromohydrins". . p. 149 - 153. Retrieved 2007/10/03.