4-Methyldecane

Base Information

• Chemical Name: 4-Methyldecane
• CAS No.: 2847-72-5
• Molecular Formula: C₁₁H₂₄
• Molecular Weight: 156.312
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID40863035
• Nikkaji Number: J100.209K
• Wikidata: Q27160790
• Metabolomics Workbench ID: 5293
• Mol file: 2847-72-5.mol

Synonyms:4-METHYLDECANE;Decane, 4-methyl-;2847-72-5;xi-4-Methyldecane;Methyldecane, 4-;starbld0046239;CHEBI:88816;DTXSID40863035;DVWZNKLWPILULD-UHFFFAOYSA-N;LMFA11000598;AKOS006274080;Q27160790

Chemical Property of 4-Methyldecane

Chemical Property:

• Vapor Pressure: 0.869mmHg at 25°C
• Melting Point: -92°C
• Refractive Index: 1.417
• Boiling Point: 187.4 °C at 760 mmHg
• Flash Point: 49.4 °C
• PSA: 0.00000
• Density: 0.742 g/cm³
• LogP: 4.39300
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 156.187800766
• Heavy Atom Count: 11
• Complexity: 66.4

Purity/Quality:

98%Min ^*data from raw suppliers

4-METHYLDECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCCC(C)CCC

Technology Process of 4-Methyldecane

There total 16 articles about 4-Methyldecane 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: 90.0%

2-iodooctane (36049-78-2,557-36-8) → 4-methyldecane (2847-72-5)

Guidance literature:

With n-Pr₂Cu(CN)Li₂; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1021/jo00195a009

Reference yield:

4-Methyldecan-4-ol (26209-94-9) → 4-methyldecane (2847-72-5)

Guidance literature:

With hydrogenchloride; hydrogen iodide; zinc; at 70 - 80 ℃;

DOI:10.1021/ja01278a005

Reference yield:

C11H14O2 → 4-methyldecane (2847-72-5)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In water; at 200 ℃; for 8h; under 30003 Torr;

DOI:10.1039/c6ra14789e

upstream raw materials:

(4R)-4-methyldec-1-ene

(S)-(+)-2-bromooctane

4-Methyldecan-4-ol

4-methyl-1-decene

Refernces

• 1、 Lipshutz, Bruce H.,Wilhelm, Robert S.,Kozlowski, Joseph A.,Parker, David. "Substitution Reactions of Secondary Halides and Epoxides with Higher Order, Mixed Organocuprates, R2Cu(CN)Li2: Synthetic, Stereochemical, and Mechanistic Aspects". . p. 3928 - 3938. Retrieved 2007/10/02.
• 2、 Lipshutz, Bruce H.,Wilhelm, Robert S.,Floyd, David M.. "Chemistry of Higher Order, Mixed Organocuprates. 1. Substitution Reactions at Unactivated Secondary Centers". . p. 7672 - 7674. Retrieved 2007/10/02.