1,1,3,4-Tetramethylcyclopentane

Base Information

• Chemical Name: 1,1,3,4-Tetramethylcyclopentane
• CAS No.: 20309-77-7
• Molecular Formula: C9H18
• Molecular Weight: 126.24
• DSSTox Substance ID: DTXSID20942453
• Nikkaji Number: J1.557.007E
• Mol file: 20309-77-7.mol

Synonyms:1,1,3,4-Tetramethylcyclopentane;74563-63-6;trans-1,1,3,4-Tetramethylcyclopentane;DTXSID20942453;1,1,3,4-Tetramethyl cyclopentane;FT-0690764;FT-0695434

Chemical Property of 1,1,3,4-Tetramethylcyclopentane

Chemical Property:

• Vapor Pressure: 12.2mmHg at 25°C
• Melting Point: -106.4°C
• Refractive Index: 1.4179
• Boiling Point: 129.8°C at 760 mmHg
• Flash Point: 20.5°C
• PSA: 0.00000
• Density: 0.755g/cm³
• LogP: 3.07860
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC1C)(C)C

Technology Process of 1,1,3,4-Tetramethylcyclopentane

There total 6 articles about 1,1,3,4-Tetramethylcyclopentane 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:

2,4,4-trimethyl-adipic acid (3937-59-5) → trans-1,1,3,4-Tetramethyl-cyclopentan (20309-77-7,53907-60-1,74563-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Ba(OH)2, MnCO₃ / 250 - 255 °C

2: (i), (ii) Al₂O₃, (heating), (iii) H₂, Ni

With barium dihydroxide; manganese(II)carbonate;

DOI:10.1021/jo01074a008

Reference yield:

3,5,5-trimethyl-cyclohexene (503-44-6,933-12-0) → trans-1,1,3,4-Tetramethyl-cyclopentan (20309-77-7,53907-60-1,74563-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) aq. H₂O₂, HCO₂H, (ii) aq. NaMnO₄

2: Ba(OH)2, MnCO₃ / 250 - 255 °C

3: (i), (ii) Al₂O₃, (heating), (iii) H₂, Ni

With barium dihydroxide; manganese(II)carbonate;

DOI:10.1021/jo01074a008

Reference yield:

4,6,6-trimethylcyclohex-2-en-1-one (53358-55-7) → trans-1,1,3,4-Tetramethyl-cyclopentan (20309-77-7,53907-60-1,74563-63-6)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) H₂, Ni, (ii) TsOH

2: (i) aq. H₂O₂, HCO₂H, (ii) aq. NaMnO₄

3: Ba(OH)2, MnCO₃ / 250 - 255 °C

4: (i), (ii) Al₂O₃, (heating), (iii) H₂, Ni

With barium dihydroxide; manganese(II)carbonate;

DOI:10.1021/jo01074a008

upstream raw materials:

2,4,4-trimethylcyclopentan-1-one

2,4,4-trimethyl-adipic acid

3,5,5-trimethyl-cyclohexene

4,6,6-trimethylcyclohex-2-en-1-one