Dimethyl 2-chloroterephthalate

Base Information

• Chemical Name: Dimethyl 2-chloroterephthalate
• CAS No.: 18643-84-0
• Molecular Formula: C10H9 Cl O4
• Molecular Weight: 228.632
• Hs Code.: 2917399090
• European Community (EC) Number: 242-475-9
• DSSTox Substance ID: DTXSID80171904
• Nikkaji Number: J222.261B
• Wikidata: Q72469632
• Mol file: 18643-84-0.mol

Synonyms:Dimethyl 2-chloroterephthalate;18643-84-0;Dimethyl chloroterephthalate;dimethyl 2-chlorobenzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester;DIMETHYL 2-CHLOROBENZENE-1,4-DIOATE;EINECS 242-475-9;2-chloro-1,4-benzenedicarboxylic acid dimethyl ester;dimethyl chloro-terephthalate;SCHEMBL69263;Dimethyl 2-chloroterephthalate #;DTXSID80171904;AB9126;MFCD00060639;AKOS015849907;2-Chloroterephthalic acid dimethyl ester;AS-44945;FT-0612024

Chemical Property of Dimethyl 2-chloroterephthalate

Chemical Property:

• Vapor Pressure: 0.000357mmHg at 25°C
• Melting Point: 58-60°C
• Boiling Point: 318.6°Cat760mmHg
• Flash Point: 134.2°C
• PSA: 52.60000
• Density: 1.29g/cm³
• LogP: 1.91320
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.0189365
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl2-Chlorobenzene-1,4-dioate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 2-chloroterephthalate

There total 8 articles about Dimethyl 2-chloroterephthalate 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:

methanol (67-56-1) + 2-chloroterephthalic acid (1967-31-3) → 2-chloro-1,4-benzenedicarboxylic acid dimethyl ester (18643-84-0)

Guidance literature:

With hydrogenchloride;

Reference yield:

C10H13ClO4 → dimethyl 2-chlorocyclohexane-1,4-dicarboxylate (1257982-59-4) + 2-chloro-1,4-benzenedicarboxylic acid dimethyl ester (18643-84-0)

Guidance literature:

5% Pd(II)/C(eggshell); for 8h; Reflux; Inert atmosphere;

Reference yield:

2-chloro-1,4-dimethyl-benzene (95-72-7) → 2-chloro-1,4-benzenedicarboxylic acid dimethyl ester (18643-84-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous HNO₃

2: KMnO₄

3: H₂SO₄

With potassium permanganate; sulfuric acid; nitric acid;

DOI:10.1007/BF03343824

upstream raw materials:

methanol

2-chloroterephthalic acid

methyl iodide

2-chloro-1,4-dimethyl-benzene

Downstream raw materials:

2-chloro-1,4-benzenedicarboxylic acid,1-methyl ester

2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonylmethyl)benzamide

2-chloro-4-(methylsulfonylmethyl)benzoic acid

tert-butyl 2-chloro-4-(methylsulfonylmethyl)benzoate

Refernces

• 1、 -. "PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING". Page/Page column 119-120. . Retrieved 2009/11/29.
• 2、 -. "Process and intermediates for the preparation of halogenated protease inhibitors". . . Retrieved 2008/06/13.