4-Acetoxy-3-methoxybenzoyl chloride

Base Information

• Chemical Name: 4-Acetoxy-3-methoxybenzoyl chloride
• CAS No.: 56681-66-4
• Molecular Formula: C10H9ClO4
• Molecular Weight: 228.632
• European Community (EC) Number: 260-336-0
• DSSTox Substance ID: DTXSID30205243
• Nikkaji Number: J267.085B
• Wikidata: Q83078753
• Mol file: 56681-66-4.mol

Synonyms:4-Acetoxy-3-methoxybenzoyl chloride;56681-66-4;EINECS 260-336-0;SCHEMBL6924726;DTXSID30205243;4-acetoxy-3-methoxy-benzoyl chloride;4-(Chlorocarbonyl)-2-methoxyphenyl acetate;(4-Carbonochloridoyl-2-methoxyphenyl)acetate;4-(Acetyloxy)-3-methoxybenzoic acid chloride

Chemical Property of 4-Acetoxy-3-methoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000972mmHg at 25°C
• Boiling Point: 302.7°C at 760 mmHg
• Flash Point: 125.2°C
• PSA: 52.60000
• Density: 1.288g/cm³
• LogP: 1.99950
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.0189365
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)Cl)OC

Technology Process of 4-Acetoxy-3-methoxybenzoyl chloride

There total 8 articles about 4-Acetoxy-3-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:

4-acetoxy-3-methoxybenzoic acid (10543-12-1) → 3-methoxy-4-acetoxybenzoyl chloride (56681-66-4)

Guidance literature:

With oxalyl dichloride; In benzene; for 5h; Heating;

Reference yield:

oxalyl dichloride (79-37-8) + 4-acetoxy-3-methoxybenzoic acid (10543-12-1) → 3-methoxy-4-acetoxybenzoyl chloride (56681-66-4)

Guidance literature:

In CH₂Cl₂ (under a CaSO₄ drying tube);

Reference yield:

3-methoxy-4-hydroxybenzoic acid (121-34-6) → 3-methoxy-4-acetoxybenzoyl chloride (56681-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylformamide

2: SOCl₂ / CHCl₃ / Heating

With thionyl chloride; triethylamine; In chloroform; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(00)00717-4

upstream raw materials:

4-acetoxy-3-methoxybenzoic acid

3-methoxy-4-hydroxybenzoic acid

oxalyl dichloride

vanillin acetate

Downstream raw materials:

4-hydroxy-3-methoxybenzoic hydrazide

4-acetoxy-3-methoxy-benzoic acid methylamide

2-ethyl-4-propyl 4-acetoxy-3-methoxybenzoate

2-ethyl-6-methoxy-4-propylphenyl 4-acetoxy-3-methoxybenzoate