1-Methyl-2-cyclohexen-1-OL

Base Information

• Chemical Name: 1-Methyl-2-cyclohexen-1-OL
• CAS No.: 23758-27-2
• Molecular Formula: C7H12 O
• Molecular Weight: 112.172
• Hs Code.: 2906199090
• DSSTox Substance ID: DTXSID10946541
• Nikkaji Number: J99.899K
• Mol file: 23758-27-2.mol

Synonyms:1-methylcyclohex-2-en-1-ol;1-METHYL-2-CYCLOHEXEN-1-OL;23758-27-2;2-Cyclohexen-1-ol, 1-methyl-;SCHEMBL2573506;1-Methyl-2-cyclohexen-1-ol #;DTXSID10946541;LVUQVFWOWNKFRL-UHFFFAOYSA-N;AKOS026727301;EN300-138283;Z1691624687

Chemical Property of 1-Methyl-2-cyclohexen-1-OL

Chemical Property:

• Vapor Pressure: 0.657mmHg at 25°C
• Melting Point: 104-105 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 164.6°Cat760mmHg
• PKA: 14.77±0.20(Predicted)
• Flash Point: 60.3°C
• PSA: 20.23000
• Density: 0.974g/cm³
• LogP: 1.47750
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC=C1)O
• Uses: 1-methylcyclohex-2-en-1-ol (cas# 23758-27-2) is an engineered material used in research study for Bio- oil production through catalytic microwave pyrolysis of model municipal solid waste component mixtures.

Technology Process of 1-Methyl-2-cyclohexen-1-OL

There total 56 articles about 1-Methyl-2-cyclohexen-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: 57.0%

cyclohexenone (930-68-7) + methylmagnesium bromide (75-16-1) → 1-methylcyclohex-2-en-1-ol (23758-27-2) + 3-Methylcyclohexanone (591-24-2,625-96-7)

Guidance literature:

methylmagnesium bromide; With C₃₂H₄₁O₂P; copper(l) chloride; In diethyl ether; at -78 ℃; Inert atmosphere; Schlenk technique;

cyclohexenone; In diethyl ether; at -78 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8nj05886e

Reference yield: 39.0%

cyclohexenone (930-68-7) → 3-methylcyclohexen-2-one (1193-18-6) + 3-methylcyclohex-2-en-1-ol (21378-21-2,54423-21-1) + 1-methylcyclohex-2-en-1-ol (23758-27-2) + 3-Methylcyclohexanone (591-24-2,625-96-7)

Guidance literature:

With Me₂(t-BuO)2CoLi; In tetrahydrofuran; for 18h; Product distribution; -70 deg C -> room temperature; other alkyl derivatives of 3d metals; other solvents;

DOI:10.1016/0040-4039(90)80014-D

Reference yield: 26.0%

cyclohexenone (930-68-7) → 1-methylcyclohex-2-en-1-ol (23758-27-2) + 3-Methylcyclohexanone (591-24-2,625-96-7)

Guidance literature:

In tetrahydrofuran; 1.) -30 deg C, 1 h; 2.) from -30 deg C to 20 deg C in 20 h;

DOI:10.1016/S0040-4039(00)99865-4

upstream raw materials:

cyclohexenone

methylmagnesium bromide

2,3-epoxy-3-methylcyclohexanone

3-methyl-1-cyclohexene

Downstream raw materials:

2-methylcyclohexa-1,3-diene

1-methyl-1,3-cyclohexadiene

2,4-dimethyl-6-(3-methylcyclohex-2-enyl)benzenamine

3-(N,N-dibenzylamino)-1-methylcyclohex-1-ene

Refernces

• 1、 Kjonaas, Richard A.,Hoffer, Ronald K.. "Regiospecific 1,4-Addition with Grignard-Derived Mixed Triorganozincate Reagents". . p. 4133 - 4135. Retrieved 1988.
• 2、 -. "CANNABINOID DERIVATIVES". Paragraph 0133. . Retrieved 2021/02/12.
• 3、 Ge, Yicen,Cui, Xi-Yang,Tan, Siu Min,Jiang, Huan,Ren, Jingyun,Lee, Nicholas,Lee, Richmond,Tan, Choon-Hong. "Guanidine–Copper Complex Catalyzed Allylic Borylation for the Enantioconvergent Synthesis of Tertiary Cyclic Allylboronates". supporting information. p. 2382 - 2386. Retrieved 2019/02/01.