(1-Methylcyclohexyl)methanol

Base Information

• Chemical Name: (1-Methylcyclohexyl)methanol
• CAS No.: 14064-13-2
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2906199090
• European Community (EC) Number: 830-021-8
• DSSTox Substance ID: DTXSID70363533
• Nikkaji Number: J1.232.067A
• Wikidata: Q82147268
• Mol file: 14064-13-2.mol

Synonyms:(1-methylcyclohexyl)methanol;14064-13-2;1-Hydroxymethyl-1-methylcyclohexane;1-Methylcyclohexanemethanol;methylcyclohexane methanol;1-methylcyclohexyl-methanol;SCHEMBL17633;Cyclohexanemethanol, 1-methyl-;(1-methyl-cyclohexyl)-methanol;DTXSID70363533;1-methyl-1-hydroxymethylcyclohexane;MFCD00270318;AKOS000282608;SB84091;BS-21407;CS-0433278;FT-0669810;E88327;EN300-108093;1-hydroxymethyl-1-methylcyclohexane, AldrichCPR;Z1201620047

Chemical Property of (1-Methylcyclohexyl)methanol

Chemical Property:

• Vapor Pressure: 0.217mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 183.8°Cat760mmHg
• Flash Point: 74.7°C
• PSA: 20.23000
• Density: 0.893g/cm³
• LogP: 1.94910
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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: 82.6

Purity/Quality:

98%Min ^*data from raw suppliers

1-Hydroxymethyl-1-methylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1)CO
• Uses: 1-Hydroxymethyl-1-methylcyclohexane (cas# 14064-13-2) is a compound useful in organic synthesis.

Technology Process of (1-Methylcyclohexyl)methanol

There total 20 articles about (1-Methylcyclohexyl)methanol 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: 94.0%

1-methyl-1-cyclohexanecarboxylic acid (1123-25-7) → (1-methylcyclohexyl)methanol (14064-13-2)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 48h; Inert atmosphere; Cooling with ice;

DOI:10.1002/anie.201708800

Reference yield: 92.0%

trimethylaluminum (75-24-1) + cyclohexanespiro-4'-(2'-oxo-1',3',2'-dioxathiolane) → (1-methylcyclohexyl)methanol (14064-13-2)

Guidance literature:

In toluene; at 0 ℃; for 1h;

DOI:10.1016/S0040-4039(00)00315-4

Reference yield: 75.0%

methyl 1-methylcyclohexanecarboxylate (825-04-7) → (1-methylcyclohexyl)methanol (14064-13-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1021/ja00392a031

upstream raw materials:

1-methyl-1-cyclohexanecarboxylic acid

1-methyl-3-cyclohexene-1-carboxaldehyde

methyl 1-methylcyclohexanecarboxylate

methanol

Downstream raw materials:

(S)-2-(2-Benzoyl-phenylamino)-3-[4-(1-methyl-cyclohexylmethoxy)-phenyl]-propionic acid methyl ester

C₁₇H₂₄N₂O

(2R)-{[(1R)-2-hydroxy-1-phenylethyl]amino}(1-methylcyclohexyl)acetonitrile

(S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid

Refernces

• 1、 Tanaka, Keita,Ewing, William R.,Yu, Jin-Quan. "Hemilabile Benzyl Ether Enables Γ-C(sp3)-H Carbonylation and Olefination of Alcohols". supporting information. p. 15494 - 15497. Retrieved 2019/10/16.
• 2、 Haibach, Michael C.,Stoltz, Brian M.,Grubbs, Robert H.. "Catalytic Reduction of Alkyl and Aryl Bromides Using Propan-2-ol". . p. 15123 - 15126. Retrieved 2017/11/20.