(S)-1,2-Epoxy-5-hexene

Base Information

• Chemical Name: (S)-1,2-Epoxy-5-hexene
• CAS No.: 137688-21-2
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• Hs Code.: 2910900090
• European Community (EC) Number: 604-034-2
• DSSTox Substance ID: DTXSID70426430
• Nikkaji Number: J1.191.806I
• Wikidata: Q82239349
• Mol file: 137688-21-2.mol

Synonyms:137688-21-2;(2S)-2-but-3-enyloxirane;(S)-1,2-EPOXY-5-HEXENE;(2S)-2-(But-3-en-1-yl)oxirane;(S)-2-(but-3-en-1-yl)oxirane;(S)-(-)-1,2-EPOXY-5-HEXENE;(-)-3-Butenyloxirane;2beta-(3-Butenyl)oxirane;(S)-2-(But-3-enyl)oxirane;DTXSID70426430;MUUOUUYKIVSIAR-LURJTMIESA-N;(2S)-2-(3-Buten-1-yl)oxirane;MFCD17926427;AKOS032960853;PS-15764;CS-0183115;EN300-784644;A857949;J-640397;J-800402

Chemical Property of (S)-1,2-Epoxy-5-hexene

Chemical Property:

• Boiling Point: 120.0±0.0 °C(Predicted)
• PSA: 12.53000
• Density: 0.892±0.06 g/cm3(Predicted)
• LogP: 1.35140
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 68.6

Purity/Quality:

97% ^*data from raw suppliers

(S)-1,2-Epoxy-5-hexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1CO1
• Isomeric SMILES: C=CCC[C@H]1CO1
• Uses: (S)-1,2-Epoxy-5-hexene is a hydrocarbon derivative, which can be used as a pharmaceutical intermediate for pharmaceutical synthesis and pharmaceutical experimental research.

Technology Process of (S)-1,2-Epoxy-5-hexene

There total 9 articles about (S)-1,2-Epoxy-5-hexene 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: 45.0%

1,2-epoxy-5-hexene (10353-53-4) → (R)-1,2-dihydroxy-5-hexene (133494-68-5) + (-)-(S)-2-(but-3-enyl)oxirane (137688-21-2)

Guidance literature:

With water; In neat (no solvent); at 0 - 20 ℃; for 12h; enantioselective reaction; Resolution of racemate;

DOI:10.1039/c4cy00594e

Reference yield: 45.0%

1,2-epoxy-5-hexene (10353-53-4) → (-)-(S)-2-(but-3-enyl)oxirane (137688-21-2)

Guidance literature:

With acetic acid; In tetrahydrofuran; water;

DOI:10.1016/j.bmcl.2014.12.056

Reference yield: 44.0%

1,2-epoxy-5-hexene (10353-53-4) → (S)-hex-5-ene-1,2-diol (127102-61-8) + (R)-2-(but-3-en-1-yl)oxirane (137688-20-1) + (-)-(S)-2-(but-3-enyl)oxirane (137688-21-2)

Guidance literature:

With (1R,2R)-(-)-N,N'-bis(3,5-di-tert-butylsalicydene)-1,2-cyclohexanediaminocobalt(II); air; acetic acid; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/ja016737l

upstream raw materials:

1,2-epoxy-5-hexene

1,5-Hexadien

(R)-1-chlorohex-5-en-2-ol

Downstream raw materials:

(S)-1-(2-Hydroxymethyl-3-methoxy-5-methyl-phenyl)-hex-5-en-2-ol

1-[2-(tert-butyl-dimethyl-silanyloxymethyl)-3-methoxy-5-methyl-phenyl]-hex-5-en-2-ol

tert-butyl-[2-methoxy-6-(2-methoxymethoxy-hex-5-enyl)-4-methyl-benzyloxy]-dimethyl-silane

6-[2-(tert-butyl-dimethyl-silanyloxymethyl)-3-methoxy-5-methyl-phenyl]-5-methoxymethoxy-hexan-2-one