Methyl 3-chloro-5-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-chloro-5-methoxybenzoate
• CAS No.: 96826-41-4
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID10542007
• Wikidata: Q82418512
• Mol file: 96826-41-4.mol

Synonyms:METHYL 3-CHLORO-5-METHOXYBENZOATE;96826-41-4;SCHEMBL3908308;DTXSID10542007;MFCD12547160;AKOS027337713;METHYL3-CHLORO-5-METHOXYBENZOATE;AS-10748;CS-0173670;F14182

Chemical Property of Methyl 3-chloro-5-methoxybenzoate

Chemical Property:

• Boiling Point: 282.6±20.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.228±0.06 g/cm3(Predicted)
• LogP: 2.13520
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

Methyl3-Chloro-5-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)OC)Cl

Technology Process of Methyl 3-chloro-5-methoxybenzoate

There total 3 articles about Methyl 3-chloro-5-methoxybenzoate 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: 89.0%

methanol (67-56-1) + 3-chloro-5-methoxy-benzoic acid (82477-67-6) → methyl 3-chloro-5-methoxybenzoate (96826-41-4)

Guidance literature:

With acetyl chloride; at 20 ℃; for 15h;

DOI:10.1007/s00044-017-1923-9

Reference yield: 65.1%

3-chloro-5-methoxy-benzoic acid (82477-67-6) + acetyl chloride (75-36-5) → methyl 3-chloro-5-methoxybenzoate (96826-41-4)

Guidance literature:

In methanol; at 0 - 20 ℃; for 15h;

DOI:10.1016/j.bmc.2019.01.004

Reference yield:

3,5-dichlorobenzoic acid (51-36-5) → methyl 3-chloro-5-methoxybenzoate (96826-41-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hexamethylphosphoramide / 15 h / 115 - 120 °C

2: 70 percent / acetyl chloride / 15 h / Ambient temperature

With N,N,N,N,N,N-hexamethylphosphoric triamide; acetyl chloride;

upstream raw materials:

methanol

3-chloro-5-methoxy-benzoic acid

3,5-dichlorobenzoic acid

acetyl chloride

Downstream raw materials:

3-chloro-5-methoxymethyloxybenzyl chloride

3-chloro-5-methoxymethyloxybenzyl alcohol

methyl 3-chloro-5-methoxymethyloxybenzoate

1-<1-<2-<(3-chloro-5-methoxymethyloxybenzyl)oxy>phenyl>vinyl>-1H-imidazole