Methyl 4-amino-2-chloro-5-iodobenzoate

Base Information

• Chemical Name: Methyl 4-amino-2-chloro-5-iodobenzoate
• CAS No.: 256935-85-0
• Molecular Formula: C8H7ClINO2
• Molecular Weight: 311.507
• DSSTox Substance ID: DTXSID401218533
• Nikkaji Number: J2.442.978D
• Mol file: 256935-85-0.mol

Synonyms:methyl 4-amino-2-chloro-5-iodobenzoate;256935-85-0;MFCD09260863;Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester;AN-584/43393262;SCHEMBL144288;ACKIVQFMUDRNPN-UHFFFAOYSA-N;DTXSID401218533;AMY17192;CS-M3489;SC5023;AKOS027252710;methyl4-amino-2-chloro-5-iodobenzoate;AS-54679;methyl 4-amino-2-chloro-5-iodo-benzoate;SY167627;EN300-198573

Chemical Property of Methyl 4-amino-2-chloro-5-iodobenzoate

Chemical Property:

• Melting Point: 155 - 157 °C
• PSA: 52.32000
• LogP: 2.89460
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.92100
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

98% ^*data from raw suppliers

Methyl4-amino-2-chloro-5-iodobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1Cl)N)I

Technology Process of Methyl 4-amino-2-chloro-5-iodobenzoate

There total 7 articles about Methyl 4-amino-2-chloro-5-iodobenzoate 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: 58.0%

methyl 4-amino-2-chlorobenzoate (46004-37-9) → methyl 4-amino-2-chloro-5-iodo-benzoate (256935-85-0)

Guidance literature:

With iodine; silver sulfate; In ethylene glycol;

DOI:10.1080/00304940709458586

Reference yield:

benzyl trimethylammonium dichloroiodate + methyl 4-amino-2-chlorobenzoate (46004-37-9) → methyl 4-amino-2-chloro-5-iodo-benzoate (256935-85-0)

Guidance literature:

With calcium carbonate; In methanol; dichloromethane; ethyl acetate;

Reference yield:

4-amino-2-chlorobenzoic acid (2457-76-3) → methyl 4-amino-2-chloro-5-iodo-benzoate (256935-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / AcCl / 20 h / Heating

2: ICl / acetic acid / 24 h / 20 °C

With Iodine monochloride; acetyl chloride; In acetic acid;

DOI:10.1016/j.tetlet.2007.01.148

upstream raw materials:

2-chloro-4-[N'-(1-ethoxycarbonyl-ethylidene)-hydrazino]-5-iodo-benzoic acid methyl ester

methyl 4-amino-2-chlorobenzoate

4-amino-2-chlorobenzoic acid

Downstream raw materials:

methyl 4-amino-2-chloro-3-iodo-5-isobutylbenzoate

methyl 4-amino-2-chloro-5-isobutyl-3-((trimethylsilyl)ethynyl)benzoate

methyl 4-amino-2-chloro-5-(3-methoxypropyl)benzoate

methyl 4-amino-2-chloro-3-iodo-5-(3-methoxypropyl)benzoate

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