4-Methoxyphenyl 3-chloropropanoate

Base Information

• Chemical Name: 4-Methoxyphenyl 3-chloropropanoate
• CAS No.: 34985-50-7
• Molecular Formula: C10H11 Cl O3
• Molecular Weight: 214.6455
• NSC Number: 160234
• DSSTox Substance ID: DTXSID70303696
• Wikidata: Q82049115
• Mol file: 34985-50-7.mol

Synonyms:34985-50-7;4-methoxyphenyl 3-chloropropanoate;NSC160234;SCHEMBL4642418;DTXSID70303696;NSC-160234

Chemical Property of 4-Methoxyphenyl 3-chloropropanoate

Chemical Property:

• Vapor Pressure: 0.000351mmHg at 25°C
• Boiling Point: 318.9°Cat760mmHg
• Flash Point: 135°C
• Density: 1.199g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxyphenyl 3-chloropropanoate

There total 1 articles about 4-Methoxyphenyl 3-chloropropanoate 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-methoxy-phenol (150-76-5) + 2-chloropropionyl chloride (625-36-5) → 4-methoxyphenyl 3-chloropropionate (34985-50-7)

Guidance literature:

With tetraethylammonium chloride; In acetonitrile;

DOI:10.1039/jr9650000168

Reference yield: 59.0%

Togni's reagent II (887144-94-7) + 4-methoxyphenyl 3-chloropropionate (34985-50-7) → 4-methoxyphenyl-2-chloro-4,4,4-trifluorobutanoate

Guidance literature:

With 9,10-dihydro-10-methylacridine; In 1,2-dichloro-ethane; acetonitrile; at 60 ℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1002/cjoc.201900221

Reference yield:

4-methoxyphenyl 3-chloropropionate (34985-50-7) → 6-hydroxy-2,3-dihydro-4H-chromen-4-one (80096-64-6)

Guidance literature:

With hydrogenchloride; aluminium trichloride; Yield given. Multistep reaction; 1.) a) CH₂Cl₂, from 75 to 170 deg C, 2 h, b) neat, 170 deg C, 1.5 h, 2.) water, benzene, RT, 16 h;

DOI:10.1021/jm00346a012

upstream raw materials:

4-methoxy-phenol

2-chloropropionyl chloride

Downstream raw materials:

6-hydroxy-2,3-dihydro-4H-chromen-4-one

Refernces