1-Chloroethyl phenyl carbonate

Base Information

• Chemical Name: 1-Chloroethyl phenyl carbonate
• CAS No.: 50972-20-8
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• DSSTox Substance ID: DTXSID60543786
• Nikkaji Number: J306.389E
• Mol file: 50972-20-8.mol

Synonyms:1-chloroethyl phenyl carbonate;50972-20-8;Phenyl 1-Chloroethyl Carbonate;carbonic acid 1-chloroethyl phenyl ester;SCHEMBL4492405;DTXSID60543786;RLCSVIMOWLKELL-UHFFFAOYSA-N;BCP32498;AKOS037645315;AS-60079;CS-0327121;A12584;1-Chloroethyl phenyl carbonate;Carbonic Acid 1-Chloroethyl Phenyl Ester

Chemical Property of 1-Chloroethyl phenyl carbonate

Chemical Property:

• Boiling Point: 67-68 °C(Press: 0.15 Torr)
• PSA: 35.53000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 2.78680
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

CarbonicAcid1-ChloroethylPhenylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(OC(=O)OC1=CC=CC=C1)Cl
• Uses: Phenyl 1-Chloroethyl Carbonate is an aryl chloroalkyl carbamate that is useful for the synthesis of carbamate pesticides and for the protection of a variety of amino groups, including amino acids. Carbonic Acid 1-Chloroethyl Phenyl Ester is an aryl chloroalkyl carbamate that is useful for the synthesis of carbamate pesticides and for the protection of a variety of amino groups, including amino acids.

Technology Process of 1-Chloroethyl phenyl carbonate

There total 3 articles about 1-Chloroethyl phenyl carbonate 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%

carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) + phenol (108-95-2,27073-41-2) → phenyl-α-chloroethyl-carbonate (50972-20-8)

Guidance literature:

With pyridine; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1055/s-1986-31724

Reference yield: 71.0%

acetaldehyde (75-07-0,9002-91-9) + phenyl chloroformate (1885-14-9) → phenyl-α-chloroethyl-carbonate (50972-20-8)

Guidance literature:

pyridine; In 1,2-dichloro-ethane; at 80 ℃; for 5h;

DOI:10.1055/s-1988-27597

Reference yield:

→ phenyl-α-chloroethyl-carbonate (50972-20-8)

Guidance literature:

upstream raw materials:

acetaldehyde

phenyl chloroformate

carbonochloridic acid 1-chloro-ethyl ester

phenol

Downstream raw materials:

phenyl 1-isothiocyanoethylcarbonate

1-bromoethyl phenyl carbonate

phenyl fluoroformate

phenyl 1-thiocyanoethylcarbonate

Refernces

• 1、 Senet, Jean-Pierre,Sennyey, Gerard,Wooden, Gary P.. "A Convenient New Route to 1-Haloalkyl Carbonates". . p. 407 - 410. Retrieved 2007/10/02.
• 2、 Barcelo, Gerard,Senet, Jean-Pierre,Sennyey, Gerard,Bensoam, Jean,Loffet, Albert. "Alkyl 1-Chloroalkyl Carbonates: Reagents for the Synthesis of Carbamates and Protection of Amino Groups". . p. 627 - 632. Retrieved 2007/10/02.