2-Ethyl-1-butene

Base Information

• Chemical Name: 2-Ethyl-1-butene
• CAS No.: 760-21-4
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• European Community (EC) Number: 212-078-5
• NSC Number: 74120
• UN Number: 1993
• UNII: O5MH5V756E
• DSSTox Substance ID: DTXSID0061080
• Nikkaji Number: J42.733K
• Wikidata: Q27285370
• Mol file: 760-21-4.mol

Synonyms:2-ETHYL-1-BUTENE;760-21-4;3-Methylenepentane;Pentane, 3-methylene-;1-Butene, 2-ethyl-;3-methylidenepentane;2-Ethylbut-1-ene;1,1-Diethylethene;1,1-diethylethylene;UNII-O5MH5V756E;O5MH5V756E;EINECS 212-078-5;NSC 74120;NSC-74120;NSC74120;Pentano, 3-metileno-;2-Ethyl-1-butene, 95%;DTXSID0061080;WLN: 2Y2&U1;(C2H5)2C=CH2;MFCD00009341;AKOS009158339;E0067;FT-0612230;EN300-78634;D90428;Q27285370

Chemical Property of 2-Ethyl-1-butene

Chemical Property:

• Vapor Pressure: 194mmHg at 25°C
• Melting Point: −131.5-−131 °C(lit.)
• Refractive Index: n20/D 1.396(lit.)
• Boiling Point: 64-65 °C(lit.)
• Flash Point: −15 °F
• PSA: 0.00000
• Density: 0.689 g/mL at 25 °C(lit.)
• LogP: 2.36260
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in alcohol, and methanol. Insoluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 38

Purity/Quality:

99.5% ^*data from raw suppliers

2-Ethyl-1-butene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,N
• Hazard Codes: F,Xi,N
• Statements: 11-43-51/53
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC(=C)CC
• Uses: 2-Ethyl-1-butene is used as an intermediate in organic synthesis and pharmaceuticals.

Technology Process of 2-Ethyl-1-butene

There total 64 articles about 2-Ethyl-1-butene 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: 29.0%

ethene (74-85-1) → 1-butylene (106-98-9,9003-28-5) + 1-hexene (592-41-6,25067-06-5) + 2-ethyl-1-butene (760-21-4) + 3-methyl-1-pentene (760-20-3,13643-02-2)

Guidance literature:

With 2(dmpe) (dmpe = 1,2-bis(dimethylphosphino)ethane); In toluene; at 70 ℃; for 50h;

DOI:10.1016/S0022-328X(00)83048-X

Reference yield:

5,5-diethyl-1,3-dioxan-2-one (13423-63-7) → 3,3-diethyloxetane (10196-39-1) + 2-ethyl-1-butene (760-21-4) + 3-ethyl-2-pentanone (6137-03-7)

Guidance literature:

With potassium cyanide; water; at 320 ℃; pyrolysis, var. reag.: LiCl, KOH;

Reference yield:

5,5-diethyl-1,3-dioxan-2-one (13423-63-7) → 3,3-diethyloxetane (10196-39-1) + 2-ethyl-1-butene (760-21-4) + 3-Ethyl-2-pentanol (609-27-8) + 3-ethyl-2-pentanone (6137-03-7)

Guidance literature:

With water; lithium chloride; at 320 ℃; Product distribution; pyrolysis, var. reag.: KOH, KCN; var. conc. of reag.;

upstream raw materials:

1-hexene

2-bromomethyl-2-ethyl-butan-1-ol

(E)-3-methyl-2-pentene

2-methyl-2-pentene

Downstream raw materials:

2-Ethyl-butylphosphonsaeure-dimethylester

1,1-Diaethyl-2,2-dichlorcyclopropan

(E)-4-ethyl-4-hexen-2-one

(Z)-4-ethyl-4-hexen-2-one

Refernces

• 1、 Bukvic, Alexander J.,Burnage, Arron L.,Tizzard, Graham J.,Martínez-Martínez, Antonio J.,Mckay, Alasdair I.,Rees, Nicholas H.,Tegner, Bengt E.,Kr?mer, Tobias,Fish, Heather,Warren, Mark R.,Coles, Simon J.,Macgregor, Stuart A.,Weller, Andrew S.. "A Series of Crystallographically Characterized Linear and Branched σ-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane". supporting information. p. 5106 - 5120. Retrieved 2021/05/04.
• 2、 Hwang, Ahron,Kim, Sungtak,Kwak, Geunjae,Kim, Seok Ki,Park, Hae-Gu,Kang, Seok Chang,Jun, Ki-Won,Kim, Yong Tae. "Low Temperature Oligomerization of Ethylene over Ni/Al-KIT-6 Catalysts". . p. 1303 - 1314. Retrieved 2017/05/19.