4-Tert-butyl-1-methylcyclohex-3-en-1-ol

Base Information

• Chemical Name: 4-Tert-butyl-1-methylcyclohex-3-en-1-ol
• CAS No.: 37720-57-3
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.279
• NSC Number: 124046
• DSSTox Substance ID: DTXSID70298533
• Mol file: 37720-57-3.mol

Synonyms:37720-57-3;4-tert-butyl-1-methylcyclohex-3-en-1-ol;NSC124046;DTXSID70298533;NSC-124046

Chemical Property of 4-Tert-butyl-1-methylcyclohex-3-en-1-ol

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 228.2°C at 760 mmHg
• Flash Point: 95.3°C
• Density: 0.938g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=CC1)C(C)(C)C)O

Technology Process of 4-Tert-butyl-1-methylcyclohex-3-en-1-ol

There total 4 articles about 4-Tert-butyl-1-methylcyclohex-3-en-1-ol 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:

4,4-dimethyl-3-methylenepent-1-ene (2495-32-1) + 9-Isopropenyl-9-bora-bicyclo[3.3.1]nonane (145624-59-5) → 4-tert-Butyl-1-methylyclohex-3-en-1-ol (37720-57-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; Yield given. Multistep reaction; 1.) hexane, 55 deg C, 12 h, 2.) THF;

DOI:10.1016/S0040-4039(00)93382-3

Reference yield:

4,4-dimethyl-3-methylenepent-1-ene (2495-32-1) + Br2BC(CH3)CH2 (150129-66-1) → 4-tert-Butyl-1-methylyclohex-3-en-1-ol (37720-57-3) + 3-tert-Butyl-1-methyl-cyclohex-3-enol

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; Yield given. Multistep reaction. Yields of byproduct given; 1.) hexane, 25 deg C, 4.5 h, 2.) THF;

DOI:10.1016/S0040-4039(00)93382-3

Reference yield:

methyl magnesium iodide (917-64-6) + 1-(tert-butyl)-4-methoxybenzene (5396-38-3) → 4-tert-Butyl-1-methylyclohex-3-en-1-ol (37720-57-3)

Guidance literature:

Multistep reaction; (i) Li, liq. NH₃, (ii) aq. oxalic acid, (iii) /BRN= 1209226/;

DOI:10.1021/jo01045a092

upstream raw materials:

4-tert.-Butyl-cyclohex-3-en-1-on

methyl iodide

4,4-dimethyl-3-methylenepent-1-ene

9-Isopropenyl-9-bora-bicyclo[3.3.1]nonane