4-(4-Methoxyphenyl)butanoyl chloride

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)butanoyl chloride
• CAS No.: 6836-18-6
• Molecular Formula: C11H15ClO
• Molecular Weight: 212.676
• Hs Code.: 2918990090
• European Community (EC) Number: 673-210-9
• DSSTox Substance ID: DTXSID20374871
• Wikidata: Q72517530
• Mol file: 6836-18-6.mol

Synonyms:6836-18-6;4-(4-methoxyphenyl)butanoyl chloride;4-(4-Methoxyphenyl)butyryl chloride;4-(4-METHOXYPHENYL)BUTYL CHLORIDE;Benzenebutanoylchloride, 4-methoxy-;SCHEMBL5121065;DTXSID20374871;RMNFNJLSEHCPTJ-UHFFFAOYSA-N;4-(p-methoxyphenyl)butyryl chloride;4-(4-methoxy-phenyl)-butyryl chloride;FT-0702543

Chemical Property of 4-(4-Methoxyphenyl)butanoyl chloride

Chemical Property:

• Vapor Pressure: 0.000711mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 307.7 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 26.30000
• Density: 1.132 g/cm³
• LogP: 2.78330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

CC000164:4-(4-Methoxy-phenyl)-butyrylchloride 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Methoxyphenyl)butanoyl chloride

There total 2 articles about 4-(4-Methoxyphenyl)butanoyl 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-(4-Methoxyphenyl)butyric acid (4521-28-2) → 4-(4-methoxyphenyl) butanoyl chloride (6836-18-6)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

γ-(4-methoxyphenyl)-γ-butyrolactone (26153-41-3) → 4-(4-methoxyphenyl) butanoyl chloride (6836-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium on activated carbon; hydrogen / methanol / 1 h / 20 °C / 760.05 Torr / Schlenk technique

2: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 0 - 20 °C

With oxalyl dichloride; palladium on activated carbon; hydrogen; N,N-dimethyl-formamide; In methanol; dichloromethane;

DOI:10.1021/acs.orglett.9b02673

Reference yield: 98.4%

4-(4-methoxyphenyl) butanoyl chloride (6836-18-6) → 7-Methoxy-1-tetralone (6836-19-7)

Guidance literature:

With Fe-Al-MCM-41 molecular sieve; In toluene; at 60 ℃; for 18h; Green chemistry;

upstream raw materials:

4-(4-Methoxyphenyl)butyric acid

γ-(4-methoxyphenyl)-γ-butyrolactone

Downstream raw materials:

1,4-bis(4-methoxyphenyl)butan-1-one

7-Methoxy-1-tetralone

2-(3-(4-methoxyphenyl)propyl)benzo[d]thiazole

5-[4-(4-Methoxy-phenyl)-butyryl]-pyrimidine-2,4,6-trione