3,3,6,6-Tetramethylcyclohexane-1,2-diol

Base Information

• Chemical Name: 3,3,6,6-Tetramethylcyclohexane-1,2-diol
• CAS No.: 37490-82-7
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.268
• NSC Number: 179377
• DSSTox Substance ID: DTXSID90306700
• Mol file: 37490-82-7.mol

Synonyms:37490-82-7;NSC179377;3,3,6,6-tetramethylcyclohexane-1,2-diol;DTXSID90306700;NSC-179377

Chemical Property of 3,3,6,6-Tetramethylcyclohexane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.00532mmHg at 25°C
• Boiling Point: 243.8°C at 760 mmHg
• Flash Point: 105.4°C
• Density: 0.971g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C(C1O)O)(C)C)C

Technology Process of 3,3,6,6-Tetramethylcyclohexane-1,2-diol

There total 9 articles about 3,3,6,6-Tetramethylcyclohexane-1,2-diol 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: 100.0%

(1'S,2'S)-(2'-hydroxy-3',3',6',6'-tetramethyl)cyclohexyl (S)-1-benzoyl-2-pyrrolidine-carboxylate (252982-69-7) → (1S,2S)-3,3,6,6-tetramethyl-1,2-cyclohexanediol (252982-70-0,37490-82-7)

Guidance literature:

With potassium hydroxide; for 6h; Heating;

DOI:10.1016/S0957-4166(99)00325-0

Reference yield: 52.0%

dimethyl 2,2,5,5-tetramethylhexanedioate (17219-17-9) → trans-3,3,6,6-tetramethyl-1,2-cyclohexanediol (37490-82-7)

Guidance literature:

dimethyl 2,2,5,5-tetramethylhexanedioate; With sodium; In diethyl ether; for 72h; Heating;

With sodium; isopropyl alcohol; for 2h; Heating;

DOI:10.1016/S0957-4166(99)00325-0

Reference yield:

6-hydroxy-2,2,5,5-tetramethyl-1-cyclohexanone (37494-10-3) → cis-3,3,6,6-Tetramethyl-1,2-cyclohexandiol (37494-08-9,37490-82-7)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate;

DOI:10.1021/ja00767a040

upstream raw materials:

6-hydroxy-2,2,5,5-tetramethyl-1-cyclohexanone

(1'S,2'S)-(2'-hydroxy-3',3',6',6'-tetramethyl)cyclohexyl (S)-1-benzoyl-2-pyrrolidine-carboxylate

2,2,5,5-tetramethylhexanedioic acid

dimethyl 2,2,5,5-tetramethylhexanedioate