Chloromethyl acetate

Base Information

• Chemical Name: Chloromethyl acetate
• CAS No.: 625-56-9
• Molecular Formula: C3H5ClO2
• Molecular Weight: 108.525
• European Community (EC) Number: 210-902-8
• DSSTox Substance ID: DTXSID10211544
• Nikkaji Number: J506A
• Wikidata: Q72453560
• Mol file: 625-56-9.mol

Synonyms:Chloromethyl acetate;625-56-9;Chloromethyl ethanoate;Chloromethanol acetate;acetic acid chloromethyl ester;EINECS 210-902-8;Chlormethylacetat;chlormethyl acetate;Chloromethyl acetate #;Acetic acid chloromethyl;chloromethyl methylformate;ghl.PD_Mitscher_leg0.478;SCHEMBL194595;Chloromethyl acetate, AldrichCPR;DTXSID10211544;AMY28690;BCP16170;MFCD00623643;AKOS006274758;AS-57291;SY045271;CS-0139458;FT-0600220;A24540;D78132;EN300-202074;F1916-0222

Chemical Property of Chloromethyl acetate

Chemical Property:

• Appearance/Colour: Colorless Liquid
• Vapor Pressure: 0.26mmHg at 25°C
• Refractive Index: 1.4090 (estimate)
• Boiling Point: 77.7 °C at 760 mmHg
• Flash Point: 8.9 °C
• PSA: 26.30000
• Density: 1.167 g/cm³
• LogP: 0.74580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, DMSO, Ethyl Acetate
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 107.9978071
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99%, ^*data from raw suppliers

Chloromethyl acetate ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCl
• Uses: Chloromethyl Acetate is a chemical reagent used in the synthesis of Ganciclovir (G235000) and related analogs. Ganciclovir is used as an anti-viral medication used primarily to combat herpes simplex virus 1.

Technology Process of Chloromethyl acetate

There total 11 articles about Chloromethyl acetate 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: 94.0%

acetyl chloride (75-36-5) → Chloromethyl acetate (625-56-9)

Guidance literature:

With formaldehyd; zinc(II) chloride; at 0 - 90 ℃; for 19h; Inert atmosphere;

Reference yield: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetyl chloride (75-36-5) → Chloromethyl acetate (625-56-9)

Guidance literature:

With zinc(II) chloride; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/chem.201903976

Reference yield: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetyl chloride (75-36-5) → bis(2-chloromethyl)ether (542-88-1) + Chloromethyl acetate (625-56-9)

Guidance literature:

With zinc(II) chloride; for 3h; Yield given; Heating;

upstream raw materials:

acetic acid methyl ester

1,3,5-Trioxan

acetic acid

formaldehyd

Downstream raw materials:

trans-4,5-Dimethyl-1,3-dioxolan

mecrilate

bis(benzyloxy)methane

dimesitylmethane

Refernces

• 1、 Simic,Hayon. "". . p. 244,246. Retrieved 1971.
• 2、 -. "PYRAZOLE DERIVATIVE". Paragraph 0100; 0106; 0112-0113. . Retrieved 2020/11/30.
• 3、 -. "COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY". Page/Page column 12. . Retrieved 2019/11/12.