2-(2-Chloroethyl)oxirane

Base Information

• Chemical Name: 2-(2-Chloroethyl)oxirane
• CAS No.: 948594-94-3
• Molecular Formula: C4H7ClO
• Molecular Weight: 106.55
• Hs Code.: 2910900090
• European Community (EC) Number: 635-449-7,852-570-2
• UNII: FFM9F15P0Z
• Wikidata: Q27277961
• Mol file: 948594-94-3.mol

Synonyms:2-(2-chloroethyl)oxirane;13067-79-3;Oxirane, 2-(2-chloroethyl)-;1-chloro-3,4-epoxybutane;4-chloro-1,2-epoxybutane;(2-Chloroethyl)oxirane;(S)-4-Chloro-1,2-epoxybutane;1,2-epoxy-4-chlorobutane;FFM9F15P0Z;Oxirane, (2-chloroethyl)-;Butane, 4-chloro-1,2-epoxy-;UNII-FFM9F15P0Z;(+/-)-2-(2-Chloroethyl)oxirane;948594-94-3;2-(chloroethyl)oxirane;SCHEMBL315580;NKWKILGNDJEIOC-UHFFFAOYSA-N;AKOS006384851;FT-0772140;EN300-266912;Q27277961;Z1205657512

Chemical Property of 2-(2-Chloroethyl)oxirane

Chemical Property:

• PSA: 12.53000
• LogP: 1.01410
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 106.0185425
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-20/21/22-34-40
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CCCl

Technology Process of 2-(2-Chloroethyl)oxirane

There total 1 articles about 2-(2-Chloroethyl)oxirane 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: 43.0%

1-chloro-3,4-epoxybutane (13067-79-3) → (S)-2-(2-chloroethyl)oxirane (948594-94-3) + (R)-4-Chloro-butane-1,2-diol

Guidance literature:

With (1S,2S)-N,N'-1,2-cyclohexylenebis(salicylideneaminato)cobalt(II); acetic acid; In tetrahydrofuran; water; at 0 - 23 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.202102259

Reference yield: 78.0%

(S)-2-(2-chloroethyl)oxirane (948594-94-3) + C13H17IO2 → C17H25ClO3

Guidance literature:

C₁₃H₁₇IO₂; With thiophene; n-butyllithium; copper(l) cyanide; In tetrahydrofuran; diethyl ether; hexane; pentane; at -78 - 0 ℃; Inert atmosphere;

(S)-2-(2-chloroethyl)oxirane; In tetrahydrofuran; at -78 - 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.202102259

upstream raw materials:

1-chloro-3,4-epoxybutane

Refernces