3-Ethylpentane

Base Information

• Chemical Name: 3-Ethylpentane
• CAS No.: 617-78-7
• Molecular Formula: C7H16
• Molecular Weight: 100.204
• European Community (EC) Number: 210-529-0
• NSC Number: 74151
• UNII: KN826QW56K
• DSSTox Substance ID: DTXSID8073211
• Nikkaji Number: J43.541D
• Wikipedia: 3-Ethylpentane
• Wikidata: Q223078
• Metabolomics Workbench ID: 5397
• Mol file: 617-78-7.mol

Synonyms:3-ETHYLPENTANE;617-78-7;Pentane, 3-ethyl-;Triethylmethane;3-ethyl-pentane;KN826QW56K;EINECS 210-529-0;NSC 74151;NSC-74151;UNII-KN826QW56K;DTXSID8073211;CHEBI:165737;NSC74151;LMFA11000702;MFCD00027083;E0046;FT-0615664;D90425;Q223078

Chemical Property of 3-Ethylpentane

Chemical Property:

• Melting Point: -118.6°C
• Refractive Index: 1.3910 to 1.3950
• Boiling Point: 94 °C
• Flash Point: -14°C
• Density: 0,7 g/cm3
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125200510
• Heavy Atom Count: 7
• Complexity: 21.5

Purity/Quality:

99% ^*data from raw suppliers

3-Ethylpentane ^*data from reagent suppliers

Safty Information:

• Statements: 11-38
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC(CC)CC
• Uses: Organic synthesis.

Technology Process of 3-Ethylpentane

There total 48 articles about 3-Ethylpentane 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: 96.0%

triethylcarbinyl bromide (73908-04-0) + trimethylstannane (1631-73-8) → 3-ethylpentane (617-78-7) + n-butyltrimethyltin (1527-99-7)

Guidance literature:

With n-butyllithium; In hexane; 3-bromo-3-ethylpentane (1 equiv.) and TMTH (1 equiv.) in hexane cooled to 0°C under Ar, n-BuLi (1 equiv., 2.40 M in hexane) added, stirred for 15 min, quenched with water; analyzed by GC;

DOI:10.1021/om00146a021

Reference yield: 74.0%

3-ethyl-2-pentene (816-79-5) → 3-ethylpentane (617-78-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 30h; under 45003.6 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)85889-0

Reference yield: 57.2%

tetrachloromethane (56-23-5) + ethylmagnesium chloride (2386-64-3) → 3-ethylpentane (617-78-7) + pentane (109-66-0,8031-35-4,9078-70-0)

Guidance literature:

With C₃₁H₃₇ClN₃NiO₂^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at 25 ℃; for 0.333333h; Overall yield = 100 %; Inert atmosphere;

DOI:10.1016/j.molcata.2012.07.007

upstream raw materials:

tetrachloromethane

chloroform

Bromoform

ethylmagnesium bromide

Downstream raw materials:

3-methyl-hexane

ethylcyclopentane

3-Ethyl-2-pentanol

2-ethylbutyraldehyde

Refernces

• 1、 Abasov,Agayeva,Mamedova,Isayeva,Imanova,Iskenderova,Aliyeva,Zarbaliyev,Tagiyev. "Conversion of n-Heptane, n-Butane, and Their Mixtures on Catalytic Systems Al2O3/WO 42– ?ZrO2 and HMOR/WO 42– ?ZrO2". . p. 964 - 971. Retrieved 2018/08/31.
• 2、 D'Ippolito, Silvana A.,Especel, Catherine,Vivier, Laurence,Epron, Florence,Pieck, Carlos L.. "Influence of the Br?nsted acidity, SiO2/Al 2O3 ratio and Rh-Pd content on the ring opening. Part II. Selective ring opening of methylcyclohexane". . p. 541 - 549. Retrieved 2014/01/06.