2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER
• CAS No.: 620621-48-9
• Molecular Formula: C8H6ClIO2
• Molecular Weight: 296.492
• Hs Code.: 2916399090
• Mol file: 620621-48-9.mol

Synonyms:2-Chloro-5-iodobenzoicacid methyl ester;Methyl 2-chloro-5-iodobenzoate;

Chemical Property of 2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00045mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 315 °C at 760 mmHg
• Flash Point: 144.3 °C
• PSA: 26.30000
• Density: 1.837 g/cm³
• LogP: 2.73120
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl2-Chloro-5-iodobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER

There total 3 articles about 2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER 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: 92.1%

methanol (67-56-1) + 2-chloro-5-iodobenzoic acid (19094-56-5) → 3-carboxymethyl-4-chloro-1-iodobenzene (620621-48-9)

Guidance literature:

With sulfuric acid; for 8h; Reflux;

DOI:10.3390/molecules25153500

Reference yield: 92.0%

2-chloro-5-iodobenzoic acid (19094-56-5) + acetyl chloride (75-36-5) → 3-carboxymethyl-4-chloro-1-iodobenzene (620621-48-9)

Guidance literature:

In methanol; at 0 - 20 ℃; for 45h; Inert atmosphere;

DOI:10.1021/jm500610n

Reference yield:

1-Chloro-4-iodobenzene (637-87-6) → 3-carboxymethyl-4-chloro-1-iodobenzene (620621-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisopropylamine; n-butyllithium; 2,2,6,6-tetramethylpiperidinyl-lithium / tetrahydrofuran; ethyl acetate / -78 - -50 °C / Inert atmosphere; Molecular sieve

2.1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

With n-butyllithium; oxalyl dichloride; 2,2,6,6-tetramethylpiperidinyl-lithium; diisopropylamine; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

methanol

2-chloro-5-iodobenzoic acid

acetyl chloride

1-Chloro-4-iodobenzene

Downstream raw materials:

methyl 2-chloro-5-(pyridin-2-yl)benzoate

2-chloro-5-pyridin-2-ylbenzoic acid

2-chloro-5-ethyl-N-(6-(3-(4-methylpiperazin-1-yl)propylsulfonyl)benzo[d]thiazol-2-ylcarbamoyl)benzamide

2-chloro-5-ethynylbenzoic acid

Refernces

• 1、 Yang, Sen,Ren, Chao-Li,Ma, Tian-Yang,Zou, Wen-Qian,Dai, Li,Tian, Xiao-Yu,Liu, Xing-Hai,Tan, Cheng-Xia. "1,2,4-oxadiazole-based bio-isosteres of benzamides: Synthesis, biological activity and toxicity to zebrafish embryo". . p. 1 - 14. Retrieved 2021/03/03.
• 2、 -. "1,2,4-oxadiazole bipyridine substituted benzamide compound as well as preparation method and application thereof". Paragraph 0024-0026. . Retrieved 2020/09/08.