DIMETHYL 5-CHLOROISOPHTHALATE

Base Information

• Chemical Name: DIMETHYL 5-CHLOROISOPHTHALATE
• CAS No.: 20330-90-9
• Molecular Formula: C10H9 Cl O4
• Molecular Weight: 228.632
• Hs Code.: 29173990
• Mol file: 20330-90-9.mol

Synonyms:1,3-Benzenedicarboxylicacid, 5-chloro-, dimethyl ester (9CI); Isophthalic acid, 5-chloro-, dimethylester (8CI); Dimethyl 5-chloroisophthalate; NSC 13963

Chemical Property of DIMETHYL 5-CHLOROISOPHTHALATE

Chemical Property:

• Vapor Pressure: 0.000421mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 316°Cat760mmHg
• Flash Point: 132.8°C
• PSA: 52.60000
• Density: 1.29g/cm³
• LogP: 1.91320
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl5-Chloroisophthalate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DIMETHYL 5-CHLOROISOPHTHALATE

There total 5 articles about DIMETHYL 5-CHLOROISOPHTHALATE 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:

5-chloroisophthalic acid chloride (2855-02-9) → 1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate (20330-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

With sodium hydroxide;

DOI:10.1021/ja01190a513

Reference yield:

1-(diacetoxyiodo)-3,5-dimethoxycarbonylbenzene → 1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate (20330-90-9)

Guidance literature:

1-(diacetoxyiodo)-3,5-dimethoxycarbonylbenzene; With trimethylsilyl trifluoromethanesulfonate; toluene; In [D₃]acetonitrile; at 23 ℃; for 1h; Inert atmosphere; Sealed tube; Darkness;

With sodium chloride; In [D₃]acetonitrile; at 120 ℃; for 96h; Inert atmosphere; Sealed tube; Darkness;

DOI:10.1002/chem.201500151

Reference yield:

5-iodo-isophthalic acid dimethyl ester (51839-15-7) → 1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate (20330-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 3-chloro-benzenecarboperoxoic acid / 20 h / 55 °C

2.1: toluene; trimethylsilyl trifluoromethanesulfonate / [D₃]acetonitrile / 1 h / 23 °C / Inert atmosphere; Sealed tube; Darkness

2.2: 96 h / 120 °C / Inert atmosphere; Sealed tube; Darkness

With trimethylsilyl trifluoromethanesulfonate; 3-chloro-benzenecarboperoxoic acid; toluene; In [D₃]acetonitrile;

DOI:10.1002/chem.201500151

upstream raw materials:

methanol

5-chloro-isophthalic acid

5-chloroisophthalic acid chloride

5-iodo-isophthalic acid dimethyl ester

Downstream raw materials:

3-(bromomethyl)-5-chlorobenzamide

1-(3-carbamoyl-5-chlorobenzyl)-5-chloro-2-imino-1,2-dihydropyridine-3-carboxamide monohydrobromide

3-chloro-5-(hydroxymethyl)benzamide

methyl 3-carbamoyl-5-chlorobenzoate

Refernces

• 1、 -. "N-acetonylbenzamides and their use as fungicides". . . Retrieved 2008/06/13.