Allyl 4-chlorobenzoate

Base Information

• Chemical Name: Allyl 4-chlorobenzoate
• CAS No.: 15784-28-8
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.633
• NSC Number: 8216
• DSSTox Substance ID: DTXSID90278554
• Nikkaji Number: J1.453.818F
• Wikidata: Q82010516

Synonyms:Allyl 4-chlorobenzoate;15784-28-8;4-Chlorobenzoic acid, 2-propenyl ester;allyl p-chlorobenzoate;SCHEMBL1882104;4-Chlorobenzoic acid allyl ester;DTXSID90278554;NSC8216;NSC 8216;NSC-8216;AKOS005158237;PROP-2-EN-1-YL 4-CHLOROBENZOATE;Benzoic acid, 4-chloro, 2-propenyl ester

Chemical Property of Allyl 4-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00564mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 273.7 °C at 760 mmHg
• Flash Point: 130.6 °C
• Density: 1.174 g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Allyl 4-chlorobenzoate

There total 9 articles about Allyl 4-chlorobenzoate 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: 92.0%

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) + 4-chlorophenylboronic acid pinacol ester (195062-61-4) → allyl 4-chlorobenzoate (15784-28-8)

Guidance literature:

With palladium diacetate; triphenylphosphine; p-benzoquinone; at 20 ℃; for 0.5h; under 760.051 Torr;

DOI:10.1002/adsc.200900836

Reference yield: 90.0%

allyltributylstanane (24850-33-7) + lead(IV) tetra(p-chlorobenzoate) → allyl 4-chlorobenzoate (15784-28-8)

Guidance literature:

In chloroform-d1;

Reference yield: 86.0%

4-chloro-benzoyl chloride (122-01-0) + allyl alcohol (107-18-6) → allyl 4-chlorobenzoate (15784-28-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/adsc.201500055

upstream raw materials:

4-chloro-benzoyl chloride

allyl alcohol

allyltributylstanane

4-chlorobenzaldehyde

Downstream raw materials:

C₁₆H₁₄Cl₄O₂Se

para-chlorobenzoic acid

1,2-bis(4-chlorophenyl)ethane

4-Chloro-benzoic acid (Z)-3-chloro-allyl ester

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