3-Chloro-5-methoxybenzoyl chloride

Base Information

• Chemical Name: 3-Chloro-5-methoxybenzoyl chloride
• CAS No.: 89106-53-6
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.03804
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90555695
• Wikidata: Q82437099
• Mol file: 89106-53-6.mol

Synonyms:3-Chloro-5-methoxybenzoyl chloride;89106-53-6;SCHEMBL986399;DTXSID90555695;AKOS030239193

Chemical Property of 3-Chloro-5-methoxybenzoyl chloride

Chemical Property:

• PSA: 26.30000
• LogP: 2.72760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

3-Chloro-5-methoxybenzoylchloride 95% ^*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)Cl)Cl

Technology Process of 3-Chloro-5-methoxybenzoyl chloride

There total 2 articles about 3-Chloro-5-methoxybenzoyl chloride 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: 100.0%

3-chloro-5-methoxy-benzoic acid (82477-67-6) → 5-chloro-3-methoxybenzoyl chloride (89106-53-6)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

DOI:10.1016/j.bmcl.2009.09.052

Reference yield:

3,5-dichloroanisole (33719-74-3) → 5-chloro-3-methoxybenzoyl chloride (89106-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Mg, 3.) aq. HCl

2: SOCl₂ / 4 h / Heating

With hydrogenchloride; thionyl chloride; magnesium;

DOI:10.1021/jm00371a004

Reference yield: 83.0%

ethylmagnesium bromide (925-90-6) + 5-chloro-3-methoxybenzoyl chloride (89106-53-6) → 5'-chloro-3'-methoxypropiophenone (89106-39-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 1h;

DOI:10.1021/jm00371a004

upstream raw materials:

3-chloro-5-methoxy-benzoic acid

3,5-dichloroanisole

Downstream raw materials:

5'-chloro-3'-methoxypropiophenone

1-(5-chloro-3-methoxyphenyl)-1-propanol

C₁₈H₂₀Cl₂O₂

meso-3,4-bis(5-chloro-3-methoxyphenyl)hexane