2-Phenylethyl carbonochloridate

Base Information

• Chemical Name: 2-Phenylethyl carbonochloridate
• CAS No.: 57913-41-4
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• European Community (EC) Number: 870-320-0
• DSSTox Substance ID: DTXSID70579531
• Wikidata: Q82470064
• Mol file: 57913-41-4.mol

Synonyms:2-Phenylethyl carbonochloridate;57913-41-4;phenethyl carbonochloridate;chlorocarbonic acid phenethyl ester;Carbonochloridic acid, 2-phenylethyl ester;phenethyl chloroformate;phenethylcarbonochloridate;2-phenylethyl chloroformate;2-phenylethylcarbonochloridate;SCHEMBL3845851;DTXSID70579531;DKULSTMKCYRQCP-UHFFFAOYSA-N;EN300-220729

Chemical Property of 2-Phenylethyl carbonochloridate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylethyl carbonochloridate

There total 6 articles about 2-Phenylethyl carbonochloridate 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: 99.3%

phosgene (75-44-5) + 2-phenylethanol (60-12-8) → 2-phenylethyl chloroformate (57913-41-4)

Guidance literature:

In diethyl ether; at 5 - 8 ℃; for 3h;

Reference yield: 85.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-phenylethanol (60-12-8) → 2-phenylethyl chloroformate (57913-41-4)

Guidance literature:

bis(trichloromethyl) carbonate; With pyridine; In toluene; at 0 ℃; for 3h;

2-phenylethanol; In toluene; at 20 ℃; for 17h;

DOI:10.1016/S0040-4020(02)00112-6

Reference yield:

2-phenylethanol (60-12-8) + triethylamine (121-44-8) → 2-phenylethyl chloroformate (57913-41-4)

Guidance literature:

2-phenylethanol; With bis(trichloromethyl) carbonate; In dichloromethane; at -20 ℃; for 0.166667h; Inert atmosphere;

triethylamine; In dichloromethane; at -20 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2019.02.023

upstream raw materials:

phosgene

2-phenylethanol

bis(trichloromethyl) carbonate

triethylamine

Downstream raw materials:

2-phenylethyl chloride

carbamic acid-(1-phenyl-2-piperidino-ethyl ester)

diphenethyl carbonate

Methyl ether of 1-[2-(phenyl)-ethyloxy]-carbonyl-1,2,5,6-tetrahydropyridin-3-carboxaldehyde oxime