(1r,2s)-1,2,4-Trimethylcyclopentane

Base Information

• Chemical Name: (1r,2s)-1,2,4-Trimethylcyclopentane
• CAS No.: 4850-28-6
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 225-441-8,220-043-0
• NSC Number: 73946
• DSSTox Substance ID: DTXSID301025646,DTXSID801025639
• Nikkaji Number: J192.120G,J110.415B
• Mol file: 4850-28-6.mol

Synonyms:(1r,2s)-1,2,4-trimethylcyclopentane;4850-28-6;Cis,cis,Trans-1,2,4-Trimethylcyclopentane;(1alpha,2alpha,4alpha)-1,2,4-Trimethylcyclopentane;1,cis-3,cis-4-trimethylcyclopentane;Cyclopentane, 1,2,4-trimethyl-, cis-1,cis-2,trans-4-;Cyclopentane, 1,2,4-trimethyl-, (1.alpha.,2.alpha.,4.beta.)-;2613-72-1;NSC73946;1,trans-4-Trimethylcyclopentane;PNUFYSGVPVMNRN-RNLVFQAGSA-N;PNUFYSGVPVMNRN-WHUPJOBBSA-N;DTXSID301025646;DTXSID801025639;1,cis-3,cis-4-trimethylcyclohexane;Cyclopentane, 1,2,4-trimethyl-, (1.alpha.,2.alpha.,4.alpha.)-;NSC-73946;AKOS006273549;1,cis-2,trans-4-Trimethylcyclopentane;1,2,4-Trimethylcyclopentane, cis, trans;1-cis-2-cis-4-trans-Trimethylcyclopentane;(1alpha,2alpha,4beta)-Trimethylcyclopentane;1.alpha.,2.alpha.4.beta.-Trimethylcyclopentane;(1R,2S,4S)-1,2,4-TRIMETHYLCYCLOPENTANE;Cyclopentane,2,4-trimethyl-, cis-1,cis-2,trans-4-;Cyclopentane,2,4-trimethyl-, (1.alpha.,2.alpha.,4.beta.)-

Chemical Property of (1r,2s)-1,2,4-Trimethylcyclopentane

Chemical Property:

• Refractive Index: 1.4161
• 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:

98% Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CC(C(C1)C)C
• Isomeric SMILES: C[C@@H]1CC(C[C@@H]1C)C

Technology Process of (1r,2s)-1,2,4-Trimethylcyclopentane

There total 7 articles about (1r,2s)-1,2,4-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:

1,2,4-trimethyl-cyclopentene (99363-12-9) → (1R,2S,4S)-1,2,4-Trimethyl-cyclopentane (4850-28-6)

Guidance literature:

With platinum; Hydrogenation;

Reference yield:

→ (1R,2S,4S)-1,2,4-Trimethyl-cyclopentane (4850-28-6)

Guidance literature:

With nickel; Hydrogenation;

DOI:10.1039/jr9510001493

Reference yield:

1,3,5-trimethylcyclopentanol (34103-97-4) → (1R,2S,4S)-1,2,4-Trimethyl-cyclopentane (4850-28-6)

Guidance literature:

Multi-step reaction with 2 steps

1: formic acid

2: Raney nickel / Hydrogenation

With formic acid; nickel;

upstream raw materials:

1,2,4-trimethyl-cyclopentene

hydrogenchloride

ethyl-cyclohexane

(1α,2β,4α)-1,2,4-trimethyl-cyclopentane

Downstream raw materials:

para-xylene

o-xylene

1r,2c,4c-trimethyl-cyclopentane

m-xylene

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