3,4-Epoxy-cyclohexene

Base Information

• Chemical Name: 3,4-Epoxy-cyclohexene
• CAS No.: 6705-51-7
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• Hs Code.: 2932999099
• UNII: 55T316002F
• Nikkaji Number: J772.595G
• Wikidata: Q27261335
• Mol file: 6705-51-7.mol

Synonyms:3,4-Epoxy-cyclohexene;(1S,6R)-7-Oxabicyclo[4.1.0]hept-2-ene;3,4-Epoxycyclohexene, (+/-)-;55T316002F;1,3-cyclohexadiene monoepoxide;(+/-)-3,4-epoxycyclohexene;UNII-55T316002F;1,3-CYCLOHEXADIENE MONOOXIDE;1,2-EPOXY-3,4-CYCLOHEXENE;7-OXABICYCLO(4.1.0)HEPT-2-ENE, (+/-)-;Q27261335

Chemical Property of 3,4-Epoxy-cyclohexene

Chemical Property:

• Vapor Pressure: 13.3mmHg at 25°C
• Boiling Point: 127.8°Cat760mmHg
• Flash Point: 19.2°C
• PSA: 12.53000
• Density: 1.073g/cm³
• LogP: 1.10380
• Storage Temp.: ?20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 107

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Epoxy-1-cyclohexene ≥96.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2C(O2)C=C1
• Isomeric SMILES: C1C[C@@H]2[C@@H](O2)C=C1

Technology Process of 3,4-Epoxy-cyclohexene

There total 4 articles about 3,4-Epoxy-cyclohexene 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:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → cyclohex-3-enone (4096-34-8) + 3,4-epoxycyclohexene (6705-51-7) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; cyclohexa-1,3-diene; at 305.9 ℃; for 0.0366667h; Product distribution; variation of temperature and time;

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) → cyclohex-3-enone (4096-34-8) + 3,4-epoxycyclohexene (6705-51-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; at 307.9 ℃; for 0.0463889h; Product distribution; Mechanism; Rate constant; variation of temperature and time;

Reference yield:

cyclohexene (110-83-8) → cyclohexenone (930-68-7) + 3,4-epoxycyclohexene (6705-51-7) + Cyclohex-2-enol (822-67-3)

Guidance literature:

With tert.-butylhydroperoxide; In benzene; for 3h; Product distribution; other olefins and alcohols, var. time, also without TBHP;

upstream raw materials:

cyclohexa-1,3-diene

benzene

cyclohexene

Downstream raw materials:

2,2-Dioxo-3a,6,7,7a-tetrahydro-2λ⁶-benzo[1,2,3]oxathiazole-3-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

(1R,4R)-(+)-4-methyl-2-cyclohexen-1-ol

(1S,4S)-(-)-Methyl-2-cyclohexen-1-ol

Refernces

• 1、 Agarwal, D. D.,Kaul, Anju,Raina, Daisy. "Cetyltrimethylammonium chlorochromate (CTACC)-t-butyl hydroperoxide (TBHP): A convenient oxidation reagent". . p. 158 - 160. Retrieved 2007/10/02.