2-(4-Bromobutyl)oxirane

Base Information

• Chemical Name: 2-(4-Bromobutyl)oxirane
• CAS No.: 21746-88-3
• Molecular Formula: C6H11BrO
• Molecular Weight: 179.057
• Hs Code.: 2910900090
• European Community (EC) Number: 606-830-5
• DSSTox Substance ID: DTXSID50508864
• Mol file: 21746-88-3.mol

Synonyms:2-(4-bromobutyl)oxirane;21746-88-3;6-BROMO-1,2-EPOXYHEXANE;6-Bromo-1,2-Epoxy Hexane;SCHEMBL4447282;DTXSID50508864;AKOS006325372;FT-0654116;EN300-674260;A815643

Chemical Property of 2-(4-Bromobutyl)oxirane

Chemical Property:

• Vapor Pressure: 0.539mmHg at 25°C
• Melting Point: -22 °C
• Refractive Index: 1.492
• Boiling Point: 197.2 °C at 760 mmHg
• Flash Point: 77.4 °C
• PSA: 12.53000
• Density: 1.398 g/cm³
• LogP: 1.95040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.99933
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

98% ^*data from raw suppliers

6-BROMO-1,2-EPOXYHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CCCCBr

Technology Process of 2-(4-Bromobutyl)oxirane

There total 2 articles about 2-(4-Bromobutyl)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: 95.0%

6-Bromo-1-hexene (2695-47-8) → 4-epoxy-2-yl-bromobutane (21746-88-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 3h; Heating;

DOI:10.1021/ma034885l

Reference yield:

→ 4-epoxy-2-yl-bromobutane (21746-88-3)

Guidance literature:

6-Bromo-1-hexen, m-Chlorperbenzoesaeure;

DOI:10.1021/jo01264a066

Reference yield: 88.0%

4-epoxy-2-yl-bromobutane (21746-88-3) + 10,11-dihydrodibenz[b,f][1,4]oxazepine (2244-60-2) → C19H21NO2

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

DOI:10.1039/c5ob00439j

upstream raw materials:

6-Bromo-1-hexene

Downstream raw materials:

6-Bromo-2-hexanone

1-amino-cyclopentanemethanol

6-iodo-1,2-epoxyhexane

cyclohexanol

Refernces

• 1、 Marcyk, Paul T.,Jefferies, Latisha R.,AbuSalim, Deyaa I.,Pink, Maren,Baik, Mu-Hyun,Cook, Silas P.. "Stereoinversion of Unactivated Alcohols by Tethered Sulfonamides". supporting information. p. 1727 - 1731. Retrieved 2019/01/21.
• 2、 Toda, Hiroshi,Imae, Ryouta,Itoh, Nobuya. "Bioproduction of chiral epoxyalkanes using styrene monooxygenase from rhodococcus sp. ST-10 (RhSMO)". . p. 3443 - 3450. Retrieved 2015/02/05.