1,3,3,5,5-Pentamethylcyclohexanol

Base Information

• Chemical Name: 1,3,3,5,5-Pentamethylcyclohexanol
• CAS No.: 38490-33-4
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2906199090
• European Community (EC) Number: 609-560-6
• DSSTox Substance ID: DTXSID10191812
• Nikkaji Number: J1.417.985B
• Wikidata: Q83064389
• Mol file: 38490-33-4.mol

Synonyms:1,3,3,5,5-Pentamethylcyclohexanol;38490-33-4;1,3,3,5,5-pentamethylcyclohexan-1-ol;SCHEMBL931527;DTXSID10191812;1,3,3,5,5-pentamethylcyclohexanoi;AKOS006271793;FT-0721387;1-hydroxy-1,3,3,5,5-pentamethylcyclohexane;EN300-267065

Chemical Property of 1,3,3,5,5-Pentamethylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.0729mmHg at 25°C
• Boiling Point: 202.1°C at 760 mmHg
• Flash Point: 80.3°C
• PSA: 20.23000
• Density: 0.857g/cm³
• LogP: 2.97370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99%min ^*data from raw suppliers

1,3,3,5,5-PENTAMETHYLCYCLOHEXANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(CC(C1)(C)O)(C)C)C

Technology Process of 1,3,3,5,5-Pentamethylcyclohexanol

There total 5 articles about 1,3,3,5,5-Pentamethylcyclohexanol 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: 93.0%

methyl magnesium iodide (917-64-6) + 3,3,5,5-tetramethylcyclohexanone (14376-79-5) → 1,3,3,5,5-pentamethylcyclohexanol (38490-33-4)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1016/S0223-5234(00)00153-7

Reference yield: 85.0%

3,3,5,5-tetramethylcyclohexanone (14376-79-5) + methylmagnesium chloride (676-58-4) → 1,3,3,5,5-pentamethylcyclohexanol (38490-33-4)

Guidance literature:

In tetrahydrofuran; at 5 - 15 ℃;

Reference yield:

3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) → 1,3,3,5,5-pentamethylcyclohexanol (38490-33-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; CuCl

2: diethyl ether

With diethyl ether; copper(l) chloride;

upstream raw materials:

methyl magnesium iodide

3,3,5,5-tetramethylcyclohexanone

methylmagnesium bromide

methyllithium

Downstream raw materials:

neramexane hydrochloride

Neramexane mesylate

C₁₂H₂₃NO

1-(2,4,4,6,6-pentamethyl-cyclohex-2-enyl)-ethanone

Refernces

• 1、 -. "METHOD OF PREPARING NERAMEXANE". . . Retrieved 2011/02/24.
• 2、 -. "METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE". Page/Page column 17. . Retrieved 2011/02/24.