Methyl 4-chloro-2-methoxy-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 4-chloro-2-methoxy-5-nitrobenzoate
• CAS No.: 109069-75-2
• Molecular Formula: C9H8 Cl N O5
• Molecular Weight: 245.619
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10595437
• Nikkaji Number: J887.190F
• Wikidata: Q82490443
• Mol file: 109069-75-2.mol

Synonyms:109069-75-2;METHYL 4-CHLORO-2-METHOXY-5-NITROBENZOATE;4-chloro-2-methoxy-5-nitro-benzoic acid methyl ester;methyl 4-chloro-2-methoxy-5-nitro-benzoate;4-chloro-2-methoxy-5-nitrobenzoic acid methyl ester;MFCD10574787;Benzoic acid,4-chloro-2-methoxy-5-nitro-, methyl ester;METHYL4-CHLORO-2-METHOXY-5-NITROBENZOATE;SCHEMBL6745891;DTXSID10595437;SPSVQVKAYOHSBJ-UHFFFAOYSA-N;methyl 4-chloro-5-nitro-o-anisate;AKOS005147258;BS-25706;CS-0205821;G10298;A801961

Chemical Property of Methyl 4-chloro-2-methoxy-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 7.03E-06mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 376.9°C at 760 mmHg
• Flash Point: 181.7°C
• PSA: 81.35000
• Density: 1.402g/cm³
• LogP: 2.56660
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.0091000
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-methoxy-5-nitro-benzoicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])Cl

Technology Process of Methyl 4-chloro-2-methoxy-5-nitrobenzoate

There total 4 articles about Methyl 4-chloro-2-methoxy-5-nitrobenzoate 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:

2-methoxy-4-chloro-5-nitrobenzoic acid (68255-77-6) → methyl 4-chloro-2-methoxy-5-nitrobenzoate (109069-75-2)

Guidance literature:

With sodium chloride; sulfuric acid; In methanol;

Reference yield:

methanol (67-56-1) + 4-Chloro-2-methoxy-5-nitro-benzoyl chloride (90763-47-6) → methyl 4-chloro-2-methoxy-5-nitrobenzoate (109069-75-2)

Guidance literature:

DOI:10.1021/jm00375a009

Reference yield:

2,4-dichloro-5-nitrobenzoic acid (19861-62-2) → methyl 4-chloro-2-methoxy-5-nitrobenzoate (109069-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

With sulfuric acid;

DOI:10.1039/jr9640002806

upstream raw materials:

methanol

4-Chloro-2-methoxy-5-nitro-benzoyl chloride

methyl 2,4-dichloro-5-nitrobenzoate

sodium methylate

Downstream raw materials:

5-Amino-4-chloro-2-methoxy-benzoic acid methyl ester

4-Chloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-5-(methanesulfonyl-methyl-amino)-2-methoxy-benzamide

4-Chloro-5-methanesulfonylamino-2-methoxy-benzoic acid methyl ester

4-Chloro-5-(methanesulfonyl-methyl-amino)-2-methoxy-benzoic acid