Methyl 4-chloro-2-methyl-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 4-chloro-2-methyl-3-nitrobenzoate
• CAS No.: 190367-57-8
• Molecular Formula: C9H8ClNO4
• Molecular Weight: 229.62
• DSSTox Substance ID: DTXSID301277576
• Mol file: 190367-57-8.mol

Synonyms:Methyl 4-chloro-2-methyl-3-nitrobenzoate;190367-57-8;SCHEMBL305861;OBEIQHRWPFVXDA-UHFFFAOYSA-N;DTXSID301277576;MFCD27946730;Methyl4-chloro-2-methyl-3-nitrobenzoate;BS-15857;CS-0153677;D83531

Chemical Property of Methyl 4-chloro-2-methyl-3-nitrobenzoate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OC

Technology Process of Methyl 4-chloro-2-methyl-3-nitrobenzoate

There total 4 articles about Methyl 4-chloro-2-methyl-3-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:

methanol (67-56-1) + 4-chloro-2-methyl-3-nitro-benzoic acid (950915-10-3) + 4-chloro-2-methyl-5-nitrobenzoic acid (476660-41-0) → methyl 4-chloro-2-methyl-5-nitrobenzoate (190367-56-7) + 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester (190367-57-8)

Guidance literature:

With hydrogenchloride; at 0 ℃; for 1h;

Reference yield:

methanol (67-56-1) + 4-chloro-2-methyl-3-nitro-benzoic acid (950915-10-3) → 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester (190367-57-8)

Guidance literature:

With sulfuric acid; for 12h; Reflux;

Reference yield:

methanol (67-56-1) + 4-chloro-2-methylbenzoic acid (7499-07-2) → methyl 4-chloro-2-methyl-5-nitrobenzoate (190367-56-7) + 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester (190367-57-8)

Guidance literature:

With hydrogenchloride; nitric acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) 0 - 5 deg C, 1 h, 2.) reflux, 6 h;

DOI:10.1021/jm960768n

upstream raw materials:

methanol

4-chloro-2-methylbenzoic acid

para-chlorobenzoic acid

4-chloro-2-methyl-3-nitro-benzoic acid

Downstream raw materials:

4-Chloro-2-methyl-3-sulfino-benzoic acid methyl ester

4-Chloro-3-methanesulfonyl-2-methyl-benzoic acid methyl ester

3-Methanesulfonyl-2-methyl-4-(pyridin-3-yloxy)-benzoic acid methyl ester

4-cyclohexylamino-2-methyl-5-nitrobenzoic acid methyl ester