Methyl 2,3,4-trichlorobenzoate

Base Information

• Chemical Name: Methyl 2,3,4-trichlorobenzoate
• CAS No.: 89978-33-6
• Molecular Formula: C8H5 Cl3 O2
• Molecular Weight: 239.4831
• NSC Number: 91135
• DSSTox Substance ID: DTXSID50293647
• Wikidata: Q82032530
• Mol file: 89978-33-6.mol

Synonyms:89978-33-6;methyl 2,3,4-trichlorobenzoate;Benzoic acid,2,3,4-trichloro-, methyl ester;NSC 91135;NSC91135;DTXSID50293647;NSC-91135

Chemical Property of Methyl 2,3,4-trichlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Boiling Point: 299.6°Cat760mmHg
• Flash Point: 128.1°C
• Density: 1.467g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.935512
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl

Technology Process of Methyl 2,3,4-trichlorobenzoate

There total 8 articles about Methyl 2,3,4-trichlorobenzoate 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: 94.0%

methanol (67-56-1) + 2,3,4-trichlorobenzoic acid (50-75-9) → methyl 2,3,4-trichlorobenzoate (89978-33-6)

Guidance literature:

Acidic conditions;

Reference yield:

2,3,4-trichloro-1-(trifluoromethyl)benzene (61841-45-0) → methyl 2,3,4-trichlorobenzoate (89978-33-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / AlCl₃ / CS₂ / 6 h / Ambient temperature

2: 1) 30percent Oleum, 2) ice / 1) 24 h, r.t.

3: 81 percent / H₂SO₄

With aluminium trichloride; sulfuric acid; Methamphetamin; In carbon disulfide;

DOI:10.1021/jo00001a022

Reference yield:

1,2,3-trichlorobenzene (87-61-6) → methyl 2,3,4-trichlorobenzoate (89978-33-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 61 percent / AlCl₃ / 4 h / Ambient temperature

2: 93 percent / AlCl₃ / CS₂ / 6 h / Ambient temperature

3: 1) 30percent Oleum, 2) ice / 1) 24 h, r.t.

4: 81 percent / H₂SO₄

With aluminium trichloride; sulfuric acid; Methamphetamin; In carbon disulfide;

DOI:10.1021/jo00001a022

upstream raw materials:

methanol

1,2,3,4-Tetrachlor-5,6-dibrom-7,7-dimethoxy-bicyclo<2.2.1>hepten-(2)

2,3,4-trichlorobenzoic acid

2,3,4-trichloro-1-(trichloromethyl)benzene

Downstream raw materials:

methyl 3,4-dichlorobenzoate