(2R)-2-(2-Bromoethyl)oxirane

Base Information

• Chemical Name: (2R)-2-(2-Bromoethyl)oxirane
• CAS No.: 79413-93-7
• Molecular Formula: C4H7 Br O
• Molecular Weight: 151.003
• DSSTox Substance ID: DTXSID00498448
• Nikkaji Number: J2.649.133I
• Wikidata: Q82348503
• Mol file: 79413-93-7.mol

Synonyms:79413-93-7;(2R)-2-(2-Bromoethyl)oxirane;(R)-4-BROMO-1,2-EPOXYBUTANE;Oxirane, (2-bromoethyl)-, (2R)- (9CI);(R)-2-(2-Bromoethyl)oxirane;SCHEMBL3895717;DTXSID00498448;MFCD02262078;Oxirane,(2-bromoethyl)-,(2R)-(9ci);A937679

Chemical Property of (2R)-2-(2-Bromoethyl)oxirane

Chemical Property:

• PSA: 12.53000
• LogP: 1.17020
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.96803
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

99% ^*data from raw suppliers

Oxirane,2-(2-bromoethyl)-,(2R)- 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CCBr
• Isomeric SMILES: C1[C@H](O1)CCBr

Technology Process of (2R)-2-(2-Bromoethyl)oxirane

There total 3 articles about (2R)-2-(2-Bromoethyl)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: 85.0%

(S)-1,4-dibromo-2-butanol (64028-90-6,1360729-08-3) → (R)-4-bromo-1,2-butylene epoxide (79413-93-7)

Guidance literature:

DOI:10.1002/hlca.19800630724

Reference yield: 49.0%

(R)-dimethyl malate (70681-41-3) → (R)-4-bromo-1,2-butylene epoxide (79413-93-7)

Guidance literature:

DOI:10.1002/hlca.19810640523

Reference yield: 45.0%

(2-bromoethyl)oxirane (13287-42-8) → (R)-4-bromo-1,2-butylene epoxide (79413-93-7)

Guidance literature:

With (acetao)(aqua)(S,S)-N,N′-bis(3,5-di-tert-butylsalicylidene-1,2-cyclohexanediamino)-cobalt(III); water; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja200551y

upstream raw materials:

(R)-dimethyl malate

(S)-1,4-dibromo-2-butanol

(2-bromoethyl)oxirane

Downstream raw materials:

(3R)-1-{(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl}pyrrolidin-3-ol

(R)-8-acenaphthen-1-yl-1-(4-fluorophenyl)-3-(2-(R)-oxiranyl-ethyl)-1,3,8-triazaspiro[4.5]decan-4-one