(2S)-2-hexyloxirane

Base Information

• Chemical Name: (2S)-2-hexyloxirane
• CAS No.: 50418-68-3
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.214
• DSSTox Substance ID: DTXSID301315673
• Nikkaji Number: J748.766E
• Mol file: 50418-68-3.mol

Synonyms:(2S)-2-hexyloxirane;50418-68-3;Oxirane, 2-hexyl-,(2S)-;2beta-Hexyloxirane;(s)-1,2-epoxyoctane;Oxirane,2-hexyl-,(2S)-;SCHEMBL2065330;(2S)-(-)-1,2-Epoxyoctane;DTXSID301315673;MFCD00270134;EN300-253547;(S)-(-)-1,2-Epoxyoctane, >=98.0% (sum of enantiomers, GC)

Chemical Property of (2S)-2-hexyloxirane

Chemical Property:

• Refractive Index: n20/D 1.421
• Boiling Point: 169.5 °C at 760 mmHg
• Flash Point: 37.2 °C
• PSA: 12.53000
• Density: 0.866 g/cm³
• LogP: 2.35560
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

99% ^*data from raw suppliers

(2S)-2-hexyloxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1CO1
• Isomeric SMILES: CCCCCC[C@H]1CO1

Technology Process of (2S)-2-hexyloxirane

There total 27 articles about (2S)-2-hexyloxirane 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: 100.0%

oct-1-ene (111-66-0,25068-25-1) → (2S)-2-hexyloxirane (2984-50-1,50418-68-3,77495-66-0,77549-73-6)

Guidance literature:

With titanium(IV) isopropylate; Pentafluorobenzoic acid; C₃₂H₂₂F₁₀N₂O₂; dihydrogen peroxide; In water; 1,2-dichloro-ethane; at 20 ℃; for 45h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/cctc.201601154

Reference yield: 94.0%

(S)-Hydroxy-phenyl-acetic acid (R)-1-bromomethyl-heptyl ester → (2S)-2-hexyloxirane (2984-50-1,50418-68-3,77495-66-0,77549-73-6)

Guidance literature:

With potassium hydroxide; In diethyl ether;

DOI:10.1021/jo061818r

Reference yield: 92.0%

(S)-1-chloro-2-octanol (141396-03-4) → (2S)-2-hexyloxirane (2984-50-1,50418-68-3,77495-66-0,77549-73-6)

Guidance literature:

With sodium hydroxide; In diethyl ether; at 30 ℃; for 1h;

DOI:10.1002/adsc.200700244

upstream raw materials:

oct-1-ene

(2R,3R)-2,3-Bis-benzoyloxy-3-carboxy-propionate((S)-2-hydroxy-octyl)-dimethyl-sulfonium;

(S)-1-tert-Butylsulfanyl-octan-2-ol

Chloro-acetic acid (S)-1-tert-butylsulfanylmethyl-heptyl ester

Downstream raw materials:

(S)-nonadec-18-en-7-ol

(S)-1-(2-vinylphenyl)octan-2-ol

(1R,2R)-2-n-hexylcyclopropyl phenyl sulfone

(S)-octane-1,2-diol