3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

Base Information

Chemical Name:3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid
CAS No.:103347-15-5
Molecular Formula:C₁₃H₁₃ClO₇
Molecular Weight:316.695
Hs Code.:
DSSTox Substance ID:DTXSID901184258

Synonyms:DTXSID901184258;3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid;103347-15-5

Suppliers and Price of 3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

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Chemical Property of 3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:316.0349804
Heavy Atom Count:21
Complexity:409

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)CC(CC(=O)O)(C(=O)O)C(=O)O)Cl

Technology Process of 3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

There total 4 articles about 3-(4-Chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic 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: 60.0%

: 103347-16-6
2-(4-Chloro-3-methoxy-benzyl)-2-ethoxycarbonyl-succinic acid diethyl ester

: 103347-15-5
3-(4-chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

Guidance literature:: With sodium hydroxide; for 96h; Heating;
DOI:10.1021/jm00159a010

Reference yield:

: 615-74-7
2-chloro-5-methylphenol

: 103347-15-5
3-(4-chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / K₂CO₃ / acetone / 16 h / Heating

2: N-bromosuccinimide / CCl₄ / 3.5 h / Heating; Irradiation

3: 1.) NaH / 1.) Me₂SO, 60 deg C, 1 h, 2.) Me₂SO, 60 deg C, 1.5 h

4: 60 percent / aq. NaOH / 96 h / Heating

With sodium hydroxide; N-Bromosuccinimide; sodium hydride; potassium carbonate; In tetrachloromethane; acetone;
DOI:10.1021/jm00159a010

Reference yield:

: 73909-16-7
2-chloro-5-methylanisole

: 103347-15-5
3-(4-chloro-3-methoxyphenyl)-1,2,2-propanetricarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide / CCl₄ / 3.5 h / Heating; Irradiation

2: 1.) NaH / 1.) Me₂SO, 60 deg C, 1 h, 2.) Me₂SO, 60 deg C, 1.5 h

3: 60 percent / aq. NaOH / 96 h / Heating

With sodium hydroxide; N-Bromosuccinimide; sodium hydride; In tetrachloromethane;
DOI:10.1021/jm00159a010