1,1,3-Trimethylcyclopentane

Base Information

• Chemical Name: 1,1,3-Trimethylcyclopentane
• CAS No.: 4516-69-2
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2902199090
• NSC Number: 73945
• DSSTox Substance ID: DTXSID30871083
• Nikkaji Number: J44.137F
• Mol file: 4516-69-2.mol

Synonyms:1,1,3-TRIMETHYLCYCLOPENTANE;4516-69-2;Cyclopentane, 1,1,3-trimethyl-;Cyclopentane,1,1,3-trimethyl-;NSC 73945;1,1,3-Trimethyl cyclopentane;NSC73945;1,3-Trimethylcyclopentane;Cyclopentane,1,3-trimethyl-;DTXSID30871083;OBKHYUIZSOIEPG-UHFFFAOYSA-N;NSC-73945;AKOS006271783;(A+/-)-1,1,3-trimethyl-cyclopentane;FT-0690768;Cyclopentane, 1,1,3-trimethyl- (8CI)(9CI)

Chemical Property of 1,1,3-Trimethylcyclopentane

Chemical Property:

• Vapor Pressure: 35.2mmHg at 25°C
• Melting Point: -142.44°C
• Refractive Index: 1.418
• Boiling Point: 104.9 °C at 760 mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: 6.4 °C
• PSA: 0.00000
• Density: 0.762 g/cm³
• LogP: 2.83260
• Solubility.: Miscible with cyclopentane, cyclohexane, methylcyclohexane, dimethylcyclohexane
• Water Solubility.: 3.73 mg/kg at 25 °C (shake flask-GLC, Price, 1976)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 82

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C1)(C)C

Technology Process of 1,1,3-Trimethylcyclopentane

There total 38 articles about 1,1,3-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: 15.0%

6,6-diiodo-5,5-dimethyl-1-hexene (150175-77-2) → 5,5-dimethyl-hex-1-ene (7116-86-1) + 1,1,3-trimethylcyclopentane (4516-69-2) + 2,2-dimethylbicyclo<3.1.0>hexane (128885-83-6) + 1,2-bis(3,3-dimethylcyclopentyl)ethane + 5,5,9,9-Tetramethyl-trideca-1,12-diene

Guidance literature:

With naphthalen-1-yl-lithium; In tetrahydrofuran; at 25 ℃; Mechanism;

DOI:10.1021/jo00119a034

Reference yield:

1,1,3,3-tetramethylcyclobutane (24642-79-3) → 2,2,4-trimethylpentane (540-84-1) + 1,1,3-trimethylcyclopentane (4516-69-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With hydrogen; tantalum; at 213.9 ℃; Kinetics; Product distribution; Thermodynamic data;

DOI:10.1039/f19888402511

Reference yield:

1,1,3,3-tetramethylcyclobutane (24642-79-3) → 2,2,4-trimethylpentane (540-84-1) + methane (34557-54-5,27936-85-2) + ethane (74-84-0) + propane (74-98-6) + 1,1,3-trimethylcyclopentane (4516-69-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With hydrogen; palladium; at 201.9 ℃; Kinetics; Product distribution; on sintered platinum-metal films;

DOI:10.1039/f19888402511

upstream raw materials:

dimedone

1,1,3,3-tetramethylcyclobutane

2,2-dimethyl-1-bromo-5-hexene

5-(iodomethyl)-5-methyl-1-hexene

Downstream raw materials:

o-xylene

para-xylene

m-xylene

Refernces

• 1、 Ashby, E.C.,Argyropoulos, J.N.. "EVIDENCE FOR SINGLE ELECTRON TRANSFER IN THE REACTION OF A LITHIUM ENOLATE WITH A PRIMARY ALKYL IODIDE". . p. 7 - 10. Retrieved 1984.
• 2、 Ashby, E. C.,Deshpande, Abhay K.. "Electron Transfer in the Reactions of Geminal Dihalides with Ph2P(-). Evidence for the Formation of a Carbene Intermediate from a Radical Precursor". . p. 7117 - 7124. Retrieved 2007/10/03.