2,7-Dimethyloctane

Base Information

• Chemical Name: 2,7-Dimethyloctane
• CAS No.: 1072-16-8
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• NSC Number: 6232
• DSSTox Substance ID: DTXSID90147933
• Nikkaji Number: J95.544B
• Wikidata: Q5651223
• Mol file: 1072-16-8.mol

Synonyms:2,7-DIMETHYLOCTANE;1072-16-8;Octane, 2,7-dimethyl-;Diisoamyl;2,7-dimethyl-octane;Diisopentyl;NSC6232;Octane,7-dimethyl-;Octane,2,7-dimethyl-;DTXSID90147933;NSC 6232;NSC-6232;MFCD00049100;AKOS015841665;FT-0633290;J-001737;Q5651223

Chemical Property of 2,7-Dimethyloctane

Chemical Property:

• Vapor Pressure: 3.35mmHg at 25°C
• Melting Point: -55℃
• Refractive Index: 1.411
• Boiling Point: 158.8 °C at 760 mmHg
• Flash Point: 81.3 °C
• PSA: 0.00000
• Density: 0.732g/cm³
• LogP: 3.85880
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 52.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,7-Dimethyloctane ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCC(C)C

Technology Process of 2,7-Dimethyloctane

There total 22 articles about 2,7-Dimethyloctane 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: 80.0%

(3-methylbutyl)magnesium bromide (4548-78-1) → 2,7-dimethyloctane (1072-16-8)

Guidance literature:

With trifluoromethanesulfonic acid anhydride; In diethyl ether; for 0.333333h; Heating;

DOI:10.1246/cl.1996.549

Reference yield: 15.0%

1-chloro-3-methylbutane (107-84-6) → 2,7-dimethyloctane (1072-16-8) + isopentylcalcium chloride

Guidance literature:

With Ca slurry; In tetrahydrofuran; at 50 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1016/0022-328X(87)85091-X

Reference yield: 6.0%

Tetramethyl-1,2,3,4,5-hexapentaene (2590-12-7) → 2,7-dimethyloctane (1072-16-8)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In pentane; at -78 ℃; for 0.75h;

DOI:10.1021/jo01308a024

upstream raw materials:

methylbutane

isopentyl iodide

3-hepten-2-one

(3-methylbutyl)magnesium bromide

Downstream raw materials:

propene

methylbutane

Dinitro-1,6-tetramethyl-1,1,6,6-hexan

m-cymene

Refernces

• 1、 Suga,Watanabe. "". . p. 1257. Retrieved 1967.
• 2、 Scott, Lawrence T.,DeCicco, Gary J.. "Tetramethyl-1,2,3,4,5-hexapentaene". . p. 4055 - 4056. Retrieved 1980.
• 3、 Holzh?user, F. Joschka,Creusen, Guido,Moos, Gilles,Dahmen, Manuel,K?nig, Andrea,Artz, Jens,Palkovits, Stefan,Palkovits, Regina. "Electrochemical cross-coupling of biogenic di-acids for sustainable fuel production". . p. 2334 - 2344. Retrieved 2019/05/21.
• 4、 Budnikova,Kafiyatullina,Kargin,Sinyashin. "Electrocatalytic reduction of organic halides with cobalt bipyridine complexes". . p. 1702 - 1708. Retrieved 2007/10/03.