Isopropylcyclopentane

Base Information

• Chemical Name: Isopropylcyclopentane
• CAS No.: 3875-51-2
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2902199090
• European Community (EC) Number: 223-397-4
• NSC Number: 73948
• UNII: MGD62XB9AE
• DSSTox Substance ID: DTXSID90192029
• Nikkaji Number: J43.421C
• Wikidata: Q83064625
• Mol file: 3875-51-2.mol

Synonyms:ISOPROPYLCYCLOPENTANE;3875-51-2;Cyclopentane, isopropyl-;Cyclopentane, (1-methylethyl)-;Propane, 2-cyclopentyl-;Propan-2-ylcyclopentane;(1-methylethyl)cyclopentane;EINECS 223-397-4;NSC 73948;NSC-73948;NSC73948;2-Cyclopentylpropane;MGD62XB9AE;(Propan-2-yl)cyclopentane;DTXSID90192029;MFCD00045422;AKOS024015225;FT-0635042;I0647;T72412

Chemical Property of Isopropylcyclopentane

Chemical Property:

• Vapor Pressure: 14.9mmHg at 25°C
• Melting Point: -111.36°C
• Refractive Index: 1.4235
• Boiling Point: 125.2°Cat760mmHg
• Flash Point: 14.1°C
• PSA: 0.00000
• Density: 0.796g/cm³
• LogP: 2.83260
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 58.4

Purity/Quality:

98% ^*data from raw suppliers

Isopropylcyclopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCCC1
• Uses: Isopropylcyclopentane is a building block used for the synthesis of some chemical compounds. It is a component of gasoline.

Technology Process of Isopropylcyclopentane

There total 29 articles about Isopropylcyclopentane 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: 86.0%

4-isopropylidenecyclopentene (24460-61-5) → isopropylcyclopentane (3875-51-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In pentane; under 2068.6 Torr;

DOI:10.1021/ja00242a032

Reference yield: 69.0%

isopropyl chloroformate (108-23-6) + cyclopentene (142-29-0) → isopropylcyclopentane (3875-51-2) + cis-1,2-dimethylcyclohexane (2207-01-4) + 1,2-trans-dimethylcyclohexane (6876-23-9)

Guidance literature:

With triethylsilane; triethyl aluminum sesquichloride; In dichloromethane; at -15 - 20 ℃; for 2h;

DOI:10.1021/ja048904y

Reference yield:

1-Methylenspiro<2.4>hept-4-en → 1-ethyl-1-methyl-cyclopentane (16747-50-5) + isopropylcyclopentane (3875-51-2) + n-propylcyclopentane (2040-96-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In 2,2,4-trimethylpentane; at 25 ℃; Thermodynamic data; heat of hydrogenation;

upstream raw materials:

6,6'-dimethyl fulvene

1-cyclopentyl-1-methylethanol

1-isopropylcyclopentene

6,6-Dimethylbicyclo<3.1.0>hexan

Downstream raw materials:

1,3-dimethylcyclohexane

1,4 dimethylcyclohexane

2-methyl-3-ethylpentane

2,3-dimethylhexane

Refernces

• 1、 Roth, Wolfgang R.,Winzer, Markus,Korell, Michael,Wildt, Holger. "Energy Well of Diradicals, VII. - Conjugative-Stabilized Trimethylenemethane Derivatives. Geometry Dependance of the Singlet-Triplet Splitting". . p. 897 - 920. Retrieved 2007/10/02.
• 2、 Stahl, Karl-Johannes,Hertzsch, Winfried,Musso, Hans. "Hydrogenolysis of Small Cycloalkanes, X. - Catalytic Hydrogenation of Bicycloalkanes". . p. 1474 - 1484. Retrieved 2007/10/02.