2-(Cyclohex-1-en-1-yl)-1,3-dimethoxybenzene

Base Information

• Chemical Name: 2-(Cyclohex-1-en-1-yl)-1,3-dimethoxybenzene
• CAS No.: 27124-92-1
• Molecular Formula: C14H18 O2
• Molecular Weight: 218.2915
• NSC Number: 127372
• DSSTox Substance ID: DTXSID80298983
• Nikkaji Number: J3.418.662F
• Wikidata: Q82041127

Synonyms:27124-92-1;2-(cyclohex-1-en-1-yl)-1,3-dimethoxybenzene;NSC127372;DTXSID80298983;NSC-127372

Chemical Property of 2-(Cyclohex-1-en-1-yl)-1,3-dimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Boiling Point: 347°Cat760mmHg
• Flash Point: 139.2°C
• Density: 1.039g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC)C2=CCCCC2

Technology Process of 2-(Cyclohex-1-en-1-yl)-1,3-dimethoxybenzene

There total 5 articles about 2-(Cyclohex-1-en-1-yl)-1,3-dimethoxybenzene 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: 75.0%

cyclohex-1-en-1-yl trifluoromethane sulfonate (28075-50-5) + 1,3-Dimethoxybenzene (151-10-0) → 2',6'-dimethoxy-2,3,4,5-tetrahydro-1,1'-biphenyl (27124-92-1)

Guidance literature:

1,3-Dimethoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -10 - 20 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

cyclohex-1-en-1-yl trifluoromethane sulfonate; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; hexane; toluene; at 50 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201404398

Reference yield: 43.0%

1-bromocyclohex-1-ene (2044-08-8) + potassium 2,6-dimethoxybenzoate (16463-42-6) → 2',6'-dimethoxy-2,3,4,5-tetrahydro-1,1'-biphenyl (27124-92-1)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; tri-1-napthylphosphine; palladium(II) bromide; In 1-methyl-pyrrolidin-2-one; 1,3,5-trimethyl-benzene; at 150 ℃; for 16h; regiospecific reaction; Inert atmosphere;

DOI:10.1021/ol500876x

Reference yield:

phenyllithium (591-51-5) + 1,3-Dimethoxybenzene (151-10-0) → 2',6'-dimethoxy-2,3,4,5-tetrahydro-1,1'-biphenyl (27124-92-1)

Guidance literature:

With diethyl ether; anschliessend Erwaermen mit Cyclohexanon und Erhitzen des Reaktionsprodukts mit KHSO₄;

DOI:10.1021/ja01106a015

upstream raw materials:

phenyllithium

1,3-Dimethoxybenzene

n-butyllithium

1-bromocyclohex-1-ene

Downstream raw materials:

4-(3-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butyric acid

2-cyclohexyl-1,3-dimethoxy-benzene

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