4-tert-Butylcyclohexene

Base Information

• Chemical Name: 4-tert-Butylcyclohexene
• CAS No.: 2228-98-0
• Molecular Formula: C10H18
• Molecular Weight: 138.253
• Hs Code.: 2902199090
• European Community (EC) Number: 606-973-3
• NSC Number: 143533
• DSSTox Substance ID: DTXSID40862881
• Nikkaji Number: J109.444K
• Mol file: 2228-98-0.mol

Synonyms:4-(tert-Butyl)cyclohex-1-ene;2228-98-0;4-tert-Butylcyclohexene;Cyclohexene, 4-(1,1-dimethylethyl)-;4-tert-butylcyclohex-1-ene;4-tert-Butyl-1-cyclohexene;Cyclohexene, 4-tert-butyl-;C10H18;NSC 143533;4-t-butylcyclohexene;NSC143533;4-tert-butyl-cyclohexene;4-t-butyl-1-cyclohexene;Cyclohexene,1-dimethylethyl)-;DTXSID40862881;Cyclohexene, 4-tert-butyl- (8CI);MFCD09867949;AKOS006314210;GS-4060;NSC-143533;A847385;J-516006

Chemical Property of 4-tert-Butylcyclohexene

Chemical Property:

• Vapor Pressure: 2.48mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 165.3 °C at 760 mmHg
• Flash Point: 38.4 °C
• PSA: 0.00000
• Density: 0.832 g/cm³
• LogP: 3.38880
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 138.140850574
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

4-(tert-Butyl)cyclohex-1-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC=CC1

Technology Process of 4-tert-Butylcyclohexene

There total 85 articles about 4-tert-Butylcyclohexene 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: 91.0%

cis-4-tert-butylcyclohexanol methyl ether (15875-99-7) → tert-butylcyclohexane (3178-22-1) + 4-tert-butylcylohexene (2228-98-0)

Guidance literature:

With triethylsilane; C₅₆H₃₀F₃₆IrP₂⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); In dichloromethane-d2; at 50 ℃; for 2h;

DOI:10.1021/acscatal.0c01718

Reference yield: 58.0%

triethylsilane (617-86-7) + trans-4-tert-butylcyclohexanol methyl ether (15876-31-0) → tert-butylcyclohexane (3178-22-1) + 4-tert-butylcylohexene (2228-98-0) + (4-tert-Butyl-cyclohexyloxy)-triethyl-silane (81256-40-8)

Guidance literature:

With C₂₄H₃₄IrP₂⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); In dichloromethane-d2; at 50 ℃; for 2h;

DOI:10.1021/acscatal.0c01718

Reference yield: 53.0%

trans-4-t-butylcyclohexyl o-(N-methylcarbamoyl)phenyl sulphoxide → 2-methyl-1,2-benzisothiazole-3(2H)-one (2527-66-4) + cis-4-tert-butylcyclohexyl chloride (13131-74-3) + 4-tert-butylcylohexene (2228-98-0) + 2-(2-tert-Butyl-6-chloro-cyclohexylsulfanyl)-N-methyl-benzamide + 2-(5-tert-Butyl-2-chloro-cyclohexylsulfanyl)-N-methyl-benzamide + 2-(4-tert-Butyl-2-chloro-cyclohexylsulfanyl)-N-methyl-benzamide

Guidance literature:

With thionyl chloride; In dichloromethane; for 1h; Mechanism; Product distribution; Heating;

upstream raw materials:

toluene-4-sulfonic acid-(trans-4-tert-butyl-cyclohexyl ester)

potassium acetate

O-trans-4-tert-Butylcyclohexyl S-methyl dithiocarbonate

tert-butylbenzene

Downstream raw materials:

trans,trans-1,2-dibromo-4-tert-butylcyclohexane

r-4-tert-Butyl-c-1,t-2-bis(thiocyanato)cyclohexan

2-(5-t-butyl-2-cyclohexenyl)ethanol

cis-(5-t-butyl-2-cyclohexenyl)trimethylsilane