Allyl chloroacetate

Base Information

• Chemical Name: Allyl chloroacetate
• CAS No.: 2916-14-5
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.562
• Hs Code.: 29154000
• European Community (EC) Number: 220-839-8
• NSC Number: 44997
• DSSTox Substance ID: DTXSID90183417
• Nikkaji Number: J148.025A
• Wikidata: Q63395433
• Mol file: 2916-14-5.mol

Synonyms:Allyl chloroacetate;2916-14-5;Allyl 2-chloroacetate;Chloroacetic acid allyl ester;prop-2-enyl 2-chloroacetate;Acetic acid, chloro-, 2-propenyl ester;Acetic acid, 2-chloro-, 2-propen-1-yl ester;Allyl chloroacetate, 98%;Acetic acid, chloro-, allyl ester;EINECS 220-839-8;AI3-18419;Allylchloroacetate;Allyl2-chloroacetate;allyl monochloroacetate;SCHEMBL464860;chloro-acetic acid allyl ester;DTXSID90183417;prop-2-en-1-yl 2-chloroacetate;CAA91614;chloroacetic acid, 2-propenyl ester;NSC44997;MFCD00058936;NSC 44997;NSC-44997;AKOS005207191;CS-W013366;AS-40540;FT-0623622;EN300-344140;A819789;Q63395433

Chemical Property of Allyl chloroacetate

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 2.95mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 156 °C at 760 mmHg
• Flash Point: 58 °C
• PSA: 26.30000
• Density: 1.111 g/cm³
• LogP: 0.95440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

Allyl chloroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCOC(=O)CCl

Technology Process of Allyl chloroacetate

There total 12 articles about Allyl chloroacetate 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: 95.0%

allyl alcohol (107-18-6) + chloroacetic acid (79-11-8) → allyl chloroacetate (2916-14-5)

Guidance literature:

F-4SK; In dichloromethane; at 41 ℃; for 10h; Product distribution; further alcohols; further solvents and temperatures;

Reference yield: 95.0%

1,2-dichloroethylene oxide (60336-63-2) + allyl alcohol (107-18-6) → allyl chloroacetate (2916-14-5)

Guidance literature:

Heating;

Reference yield: 94.1%

chloroacetic acid (79-11-8) + 3-chloroprop-1-ene (107-05-1) → allyl chloroacetate (2916-14-5)

Guidance literature:

chloroacetic acid; With copper; sodium iodide; In water; for 1h; under 760.051 Torr; Green chemistry;

3-chloroprop-1-ene; In water; for 4h; under 760.051 Torr; Reflux; Green chemistry;

DOI:10.4067/S0717-97072013000100013

upstream raw materials:

chloroacetic acid ethyl ester

allyl alcohol

(E)-1,2-dichloro-1-ethoxy-ethene

chloroacetic acid

Downstream raw materials:

allyl diethylphosphonoacetate

(bicyclo[2.2.1]hept-5-enyl)methyl monochloroacetate

prop-2-en-1-yl 2-iodoacetate

2-methylene-4-pentenyl chloroacetate

Refernces

• 1、 Bogdal, Dariusz,Warzala, Marek. "Microwave-assisted preparation of benzo[b]furans under solventless phase-transfer catalytic conditions". . p. 8769 - 8773. Retrieved 2000.
• 2、 -. "Allyl amyl glycolate preparation method". Paragraph 0024; 0026; 0027; 0028. . Retrieved 2018/11/04.