Benzene, [(3-cyclohexen-1-yloxy)methyl]-

Base Information

• Chemical Name: Benzene, [(3-cyclohexen-1-yloxy)methyl]-
• CAS No.: 100611-66-3
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID00453810
• Nikkaji Number: J344.354J
• Mol file: 100611-66-3.mol

Synonyms:Benzene, [(3-cyclohexen-1-yloxy)methyl]-;100611-66-3;4-Benzyloxy-1-cyclohexene;1-benzyloxycyclohex-3-ene;SCHEMBL15602733;DTXSID00453810;BMZCVVCVCDSALX-UHFFFAOYSA-N;((Cyclohex-3-enyloxy)methyl)benzene;MFCD30490599;D84459;[(CYCLOHEX-3-EN-1-YLOXY)METHYL]BENZENE

Chemical Property of Benzene, [(3-cyclohexen-1-yloxy)methyl]-

Chemical Property:

• PSA: 9.23000
• LogP: 3.31190
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)OCC2=CC=CC=C2

Technology Process of Benzene, [(3-cyclohexen-1-yloxy)methyl]-

There total 21 articles about Benzene, [(3-cyclohexen-1-yloxy)methyl]- 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: 96.0%

benzyl bromide (100-39-0) + 3-cyclohexen-1-ol (822-66-2,72137-22-5) → ((cyclohex-3-enyloxy)methyl)benzene (100611-66-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 25 ℃; for 4h;

DOI:10.1039/c39950002353

Reference yield: 95.0%

4-(benzyloxy)octa-1,7-diene (478623-08-4) → ((cyclohex-3-enyloxy)methyl)benzene (100611-66-3)

Guidance literature:

With tricyclohexylphosphine[4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene][2-thienylmethylene]ruthenium(II) dichloride; In neat (no solvent); at 80 ℃; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.1002/chem.201202207

Reference yield: 94.0%

1-((E)-5-Benzyloxy-octa-1,7-dienyl)-4-trifluoromethyl-benzene (506417-56-7) → ((cyclohex-3-enyloxy)methyl)benzene (100611-66-3)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane-d2; at 26.85 ℃;

DOI:10.1021/ol0272794

upstream raw materials:

benzyl bromide

3-cyclohexen-1-ol

3-Benzyloxy-1,7-octadien

4-(benzyloxy)octa-1,7-diene

Downstream raw materials:

(1S*,2R*,4S*)-4-(benzyloxy)-1,2-epoxycyclohexane

cis-4-(benzyloxy)cyclohexanol

cis-3-benzyloxy-1-cyclohexanol

trans-3-(benzyloxy)cyclohexanol