1,2,3-Trimethylcyclopentane

Base Information

• Chemical Name: 1,2,3-Trimethylcyclopentane
• CAS No.: 2815-57-8
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 867-273-3,689-393-3
• DSSTox Substance ID: DTXSID40864648
• Nikkaji Number: J179.394B
• Wikidata: Q81986389
• Mol file: 2815-57-8.mol

Synonyms:1,2,3-Trimethylcyclopentane;Cyclopentane, 1,2,3-trimethyl-;2815-57-8;2613-69-6;1-cis-2-trans-3-Trimethylcyclopentane;Cyclopentane, 1,2,3-trimethyl-, (1alpha,2alpha,3alpha)-;CIS,CIS,TRANS-1,2,3-TRIMETHYLCYCLOPENTANE;(1alpha,2alpha,3alpha)-1,2,3-Trimethylcyclopentane;1,cis-2,cis-3-trimethylcyclopentane;1,2,3-Trimethylcyclopentane, (Z,Z)-;1,2,3-Trimethylcyclopentane, cis, cis;1,2,3-trimethyl-cyclopentane;DTXSID40864648;VCWNHOPGKQCXIQ-UHFFFAOYSA-N;Cis,Cis-1,2,3-Trimethyl-cyclopentane;FT-0771199;FT-0775165;EN300-7194740;J-520061

Chemical Property of 1,2,3-Trimethylcyclopentane

Chemical Property:

• Vapor Pressure: 21.8mmHg at 25°C
• Boiling Point: 116.3°Cat760mmHg
• Flash Point: 9.2°C
• PSA: 0.00000
• Density: 0.754g/cm³
• LogP: 2.68850
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 66.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C1C)C

Technology Process of 1,2,3-Trimethylcyclopentane

There total 3 articles about 1,2,3-Trimethylcyclopentane 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:

2,2'-dimethyl-3',4'-dihydro-2H,2'H-[2,3']bifuranyl-5,5'-dione (19918-24-2) → 3,4-dimethylhexane (583-48-2) + 1-Methyl-3-ethylbenzene (620-14-4) + 1,2,3-Trimethylcyclopentane (2815-57-8) + 1-methyl-2-ethylcyclohexane (4923-77-7,4923-78-8,130365-40-1,130365-41-2,130365-44-5,130365-45-6,130365-48-9,130365-49-0,3728-54-9)

Guidance literature:

With O₅P^(5-)*Ta⁽⁵⁺⁾; platinum on carbon; hydrogen; In water; at 300 ℃; for 3h; under 10343.2 Torr;

DOI:10.1002/anie.201913136

Reference yield:

4-oxopentanoic acid ethyl ester (539-88-8) → 3,4-dimethylhexane (583-48-2) + 3-methylheptane (589-81-1) + 1,2,3-Trimethylcyclopentane (2815-57-8) + 1,2,3,4-tetramethylcyclopentane (79042-54-9) + 1,2,4-Trimethyl-3-aethyl-cyclopentan (3726-41-8) + C9H18 + C12H24 + C12H24 + C13H26 + C13H26 + C13H26 + C13H26 + C13H26 + C13H26

Guidance literature:

4-oxopentanoic acid ethyl ester; With ethanol; sodium; sodium sulfate; at 70 ℃; for 5h;

With 5% palladium on Al₂O₃; hydrogen; at 320 ℃; for 5h; under 30003 Torr; Overall yield = 83 %; Overall yield = 12.7 g; Autoclave;

DOI:10.1039/c8gc01432a

Reference yield:

→ 1trans,2cis,3ref-Trimethyl-cyclopentan (2613-69-6,2815-57-8,15890-40-1,19374-46-0)

Guidance literature:

Butadien-(1,3), 1) Triisobutyl-aluminium, 2) Hydrolyse;

DOI:10.1021/jo01258a089

upstream raw materials:

4-oxopentanoic acid ethyl ester

2,2'-dimethyl-3',4'-dihydro-2H,2'H-[2,3']bifuranyl-5,5'-dione

Downstream raw materials:

2,3,4-trimethylpentane