1-Propoxycyclohex-1-ene

Base Information

• Chemical Name: 1-Propoxycyclohex-1-ene
• CAS No.: 61382-76-1
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• DSSTox Substance ID: DTXSID60602140
• Wikidata: Q82499087
• Mol file: 61382-76-1.mol

Synonyms:1-propoxycyclohexene;1-Propoxycyclohex-1-ene;61382-76-1;SCHEMBL9497891;DTXSID60602140

Chemical Property of 1-Propoxycyclohex-1-ene

Chemical Property:

• Boiling Point: 67 °C(Press: 9 Torr)
• PSA: 9.23000
• Density: 0.8901 g/cm3
• LogP: 2.87090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CCCCC1

Technology Process of 1-Propoxycyclohex-1-ene

There total 3 articles about 1-Propoxycyclohex-1-ene 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:

propan-1-ol (71-23-8) + cyclohexene (110-83-8) → cyclohexenone (930-68-7) + cyclohex-1-enyl propyl ether (61382-76-1) + 3-n-propoxycyclohexanone

Guidance literature:

With oxygen; at 100 ℃; under 4137.29 Torr; Autoclave;

DOI:10.1007/s11164-010-0169-7

Reference yield:

trans-1-bromo-2-methoxycyclohexane (5927-93-5) → cyclohex-1-enyl propyl ether (61382-76-1) + (2-cyclohexenyl) n-propyl ether (35496-09-4)

Guidance literature:

With cobaloxime(I); In methanol; Mechanism; further 2-alkoxycyclohexyl halides;

DOI:10.1246/cl.1980.831

Reference yield:

→ cyclohex-1-enyl propyl ether (61382-76-1)

Guidance literature:

1-Methoxycyclohexen, Alkoholaustausch mit PrOH;

DOI:10.1016/0021-9614(74)90180-3

upstream raw materials:

trans-1-bromo-2-methoxycyclohexane

propan-1-ol

cyclohexene