diMethyl 4-acetaMido-6-chloroisophthalate

Base Information

• Chemical Name: diMethyl 4-acetaMido-6-chloroisophthalate
• CAS No.: 335293-22-6
• Molecular Formula: C12H12ClNO5
• Molecular Weight: 285.684
• Hs Code.: 2924299090
• Mol file: 335293-22-6.mol

Synonyms:diMethyl 4-acetaMido-6-chloroisophthalate;4-(Acetylamino)-6-chloro-1,3-benzenedicarboxylic acid dimethyl ester

Chemical Property of diMethyl 4-acetaMido-6-chloroisophthalate

Chemical Property:

• PSA: 85.19000
• Density: 1.358
• LogP: 2.52110
• Storage Temp.: 2-8°C

Purity/Quality:

≥99% ^*data from raw suppliers

Dimethyl4-acetamido-6-chloroisophthalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diMethyl 4-acetaMido-6-chloroisophthalate

There total 3 articles about diMethyl 4-acetaMido-6-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: 74.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + methyl 2-N-acetylamino-4-chloro-5-iodobenzoate (335293-21-5) → dimethyl 6-N-acetylamino-4-chloro-1,3-isophthalate (335293-22-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 16h; under 760.051 Torr;

DOI:10.1021/jm000275p

Reference yield:

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) → dimethyl 6-N-acetylamino-4-chloro-1,3-isophthalate (335293-22-6)

Guidance literature:

Multi-step reaction with 3 steps

1: I₂; Ag₂SO₄ / methanol / 0.75 h / 20 °C

2: 93 percent / 1,2-dichloro-ethane / 3 h / 80 °C

3: 74 percent / Et₃N; (PPh₃)2PdCl₂ / dimethylformamide / 16 h / 80 °C / 760.05 Torr

With bis-triphenylphosphine-palladium(II) chloride; iodine; silver sulfate; triethylamine; In methanol; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/jm000275p

Reference yield:

methyl 2-amino-4-chloro-5-iodobenzoate (199850-56-1) → dimethyl 6-N-acetylamino-4-chloro-1,3-isophthalate (335293-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / 1,2-dichloro-ethane / 3 h / 80 °C

2: 74 percent / Et₃N; (PPh₃)2PdCl₂ / dimethylformamide / 16 h / 80 °C / 760.05 Torr

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/jm000275p

upstream raw materials:

methanol

carbon monoxide

methyl 2-N-acetylamino-4-chloro-5-iodobenzoate

2-amino-4-chloro-benzoic acid methyl ester

Downstream raw materials:

4-(2-(N-tert-butoxycarbonylazetidin-2(S)-yl)ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethylphenyl)-1,2-dihydroquinoline-6-carboxylic acid pyrimidin-4-ylamide

4-(2-(N-tert-butoxycarbonylazetidin-2(S)-yl)ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethylphenyl)-1,2-dihydoquinoline-6-carboxylic acid

dimethyl 6-N-(3,4,5-trimethylphenyl)acetylamino-4-chloro-1,3-isophthalate

6-carbomethoxy-7-chloro-4-hydroxy-3-(3,4,5-trimethylphenyl)-1H-quinolin-2-one

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