Cyclohexanemethanol, 2-methyl-

Base Information

• Chemical Name: Cyclohexanemethanol, 2-methyl-
• CAS No.: 2105-40-0
• Molecular Formula: C8H16O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 875-368-6
• NSC Number: 19178
• UNII: 8WH4DUS8RN
• DSSTox Substance ID: DTXSID60273950
• Nikkaji Number: J46.545C
• Mol file: 2105-40-0.mol

Synonyms:(2-Methylcyclohexyl)methanol;2105-40-0;Cyclohexanemethanol, 2-methyl-;2-METHYLCYCLOHEXANEMETHANOL;Hexahydro-o-methylbenzyl alcohol;NSC-19178;2MCHM;8WH4DUS8RN;SCHEMBL763335;(2-Methylcyclohexyl)methanol #;DTXSID60273950;CAA10540;NSC19178;NSC 19178;AKOS015261275;LS-56912;1-HYDROXYMETHYL-2-METHYLCYCLOHEXANE;FT-0740861;EN300-269953

Chemical Property of Cyclohexanemethanol, 2-methyl-

Chemical Property:

• Boiling Point: 192°Cat760mmHg
• Flash Point: 80.2°C
• PSA: 20.23000
• Density: 0.884g/cm³
• LogP: 1.80500
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

98% ^*data from raw suppliers

2-Methylcyclohexylmethanol(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1CO
• Uses: 2-Methylcyclohexylmethanol is used as a reagent in the synthesis of N-substituted benzamides which are used for the treatment of pain.

Technology Process of Cyclohexanemethanol, 2-methyl-

There total 20 articles about Cyclohexanemethanol, 2-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: 86.0%

2-(hydroxymethyl)-1-methylenecyclohexane (78426-32-1) → (2-Methylcyclohexyl)methanol (2105-40-0)

Guidance literature:

With (η4-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate; hydrogen; In dichloromethane; Ambient temperature;

DOI:10.1021/ja00342a080

Reference yield: 85.0%

(2-methyl-cyclohex-3-enyl)-methanol (28886-01-3) → (2-Methylcyclohexyl)methanol (2105-40-0)

Guidance literature:

With hydrogen; 5percent Pd/C;

DOI:10.1021/jo001751m

Reference yield:

methanol (67-56-1) + methyl cyclohexane (82166-21-0) → (2-Methylcyclohexyl)methanol (2105-40-0) + (1-methylcyclohexyl)methanol (14064-13-2) + (4-methylcyclohexyl)methanol (34885-03-5) + (3-methylcyclohexyl)methanol (53018-27-2)

Guidance literature:

With mercury; for 48h; Yield given. Further byproducts given. Yields of byproduct given; Heating; Irradiation;

DOI:10.1021/ja00190a032

upstream raw materials:

hexane-1,5-diol

8-oxabicyclo[4,3,0]nonane-7-one

6-methyl-3-cyclohexene-1-carbaldehyde

4-methyl-1-oxaspiro[2.5]octane

Downstream raw materials:

1-chloromethyl-2-methyl-cyclohexane

1-bromomethyl-2-methyl-cyclohexane

1-iodomethyl-2-methyl-cyclohexane

(2-methyl-cyclohexyl)-acetaldehyde

Refernces

• 1、 Armstrong, Roly J.,Akhtar, Wasim M.,Young, Tom A.,Duarte, Fernanda,Donohoe, Timothy J.. "Catalytic Asymmetric Synthesis of Cyclohexanes by Hydrogen Borrowing Annulations". supporting information. p. 12558 - 12562. Retrieved 2019/08/16.
• 2、 Ren, Li,Crudden, Cathleen M.. "Directing abilities of alcohol-derived functional groups in the hydroformylation of olefins". . p. 1746 - 1750. Retrieved 2007/10/03.