Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate

Base Information

• Chemical Name: Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate
• CAS No.: 63603-09-8
• Molecular Formula: C9H8ClNO5
• Molecular Weight: 245.619
• Hs Code.: 2918990090
• Mol file: 63603-09-8.mol

Synonyms:Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate;Methyl 4-chloro-3-methoxy-5-nitrobenzoate 95+%;2-Chloro-5-(methoxycarbonyl)-3-nitroanisole;

Chemical Property of Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate

Chemical Property:

• Boiling Point: 366.2±37.0 °C(Predicted)
• PSA: 81.35000
• Density: 1.402±0.06 g/cm3(Predicted)
• LogP: 2.56660
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Chloro-3-methoxy-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 4-Chloro-3-methoxy-5-nitrobenzoate is a reagent in the formal total synthesis of N-methylmaysenine.

Technology Process of Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate

There total 3 articles about Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate 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: 93.0%

4-hydroxy-3-methoxy-5-nitrobenzoic acid methyl ester (42590-00-1) → methyl 4-chloro-3-methoxy-5-nitrobenzoate (63603-09-8)

Guidance literature:

With oxalyl dichloride; In N,N-dimethyl-formamide; at -20 - 80 ℃; for 3h;

DOI:10.1021/ol900384u

Reference yield:

4-hydroxy-3-methoxybenzoic acid methyl ester (3943-74-6) → methyl 4-chloro-3-methoxy-5-nitrobenzoate (63603-09-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / HNO₃, glacial acetic acid / acetic acid / 2 h / Ambient temperature

2: 88 percent / oxalyl chloride / dimethylformamide / -20 deg C; 80 deg C, 3 h

With oxalyl dichloride; nitric acid; acetic acid; In acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/ja00353a027

Reference yield:

→ methyl 4-chloro-3-methoxy-5-nitrobenzoate (63603-09-8)

Guidance literature:

Nitroderivat 3, Thionylchlorid-DMF;

DOI:10.1016/S0040-4039(01)92750-9

upstream raw materials:

4-hydroxy-3-methoxy-5-nitrobenzoic acid methyl ester

4-hydroxy-3-methoxybenzoic acid methyl ester

Downstream raw materials:

3-nitro-4-chloro-5-methoxybenzoic acid

2-chloro-3-nitro-5-bromoanisole

2-chloro-3-methoxy-5-bromoaniline

2-trimethylsilyl-ethyl N-methyl-(5-bromo-2-chloro-anisol-1-yl)-carbamat

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