1-Butene

Base Information

• Chemical Name: 1-Butene
• CAS No.: 106-98-9
• Deprecated CAS: 1735-75-7,33004-02-3,54366-07-3,172345-47-0,25038-50-0,197852-64-5,2092525-54-5,33004-02-3,54366-07-3
• Molecular Formula: C4H8
• Molecular Weight: 56.1075
• Hs Code.: 2901231000
• European Community (EC) Number: 203-449-2
• ICSC Number: 0396
• UN Number: 1012
• UNII: LY001N554L
• DSSTox Substance ID: DTXSID1026746
• Nikkaji Number: J1.899.010E,J4.042H
• Wikipedia: 1-Butene
• Wikidata: Q2468763,Q83046213
• Metabolomics Workbench ID: 56954
• ChEMBL ID: CHEMBL117210
• Mol file: 106-98-9.mol

Synonyms:1-butene;but-1-ene

Chemical Property of 1-Butene

Chemical Property:

• Appearance/Colour: Colorless gas
• Vapor Pressure: 1918.196mmHg at 25°C
• Melting Point: -185 °C(lit.)
• Refractive Index: 1.3962
• Boiling Point: - 6.3 °C(lit.)
• Flash Point: 80 °C
• PSA: 0.00000
• Density: 0.626 g/cm³
• LogP: 1.58240
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 56.062600255
• Heavy Atom Count: 4
• Complexity: 14
• Transport DOT Label: Flammable Gas

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+, F
• Hazard Codes: F+, F
• Statements: R12:Extremely flammable.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S33:Take precautionary measures against static discharges.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=C
• Inhalation Risk: On loss of containment this substance can cause suffocation by lowering the oxygen content of the air in confined areas.
• Effects of Short Term Exposure: Rapid evaporation of the liquid may cause frostbite.

Technology Process of 1-Butene

There total 1192 articles about 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: 94.0%

(4R)-4-ethyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide (190260-52-7) → 1-butylene (106-98-9,9003-28-5) + benzonitrile (100-47-0)

Guidance literature:

at 600 ℃; under 0.001 Torr;

Reference yield:

s-butylmagnesium chloride (15366-08-2,79722-38-6) + isobutyraldehyde (78-84-2) → 1-butylene (106-98-9,9003-28-5) + trans-2-Butene (624-64-6) + 2-methyl-propan-1-ol (78-83-1) + 2,4-dimethyl-hexan-3-ol (13432-25-2)

Guidance literature:

Produkt 5: cis-Buten-⁽²⁾;

DOI:10.1021/ja01222a510

Reference yield:

(Z)-2-Butene (590-18-1) + hydrogen cyanide (74-90-8) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1-butylene (106-98-9,9003-28-5) + cis-2-pentenenitrile (25899-50-7) + 2-pentenenitrile (26294-98-4) + 3-Pentenenitrile (16529-66-1) + (Z)-2-methyl-2-butenenitrile (20068-02-4) + tiglonitrile (30574-97-1) + 4-Pentenenitrile (592-51-8) + 2-METHYL-3-BUTENENITRILE (16529-56-9) + 2-methylglutaronitrile (4553-62-2) + 4-ethenylcyclohexene (100-40-3) + (Z)-pent-2-enenitrile (16545-78-1)

Guidance literature:

(Z)-2-Butene; hydrogen cyanide; buta-1,3-diene; C₄₈H₅₂O₄P₂; (m-tolyl-O-)(p-tolyl-O-)2P; (m-tolyl-O-)2(p-tolyl-O-)P; tri-m-tolyl phosphite; tri-p-tolylphosphite; at 83.84 ℃;

at 119.84 ℃; Product distribution / selectivity;

upstream raw materials:

n-butyllithium

butyl methyl ether

Vinyl bromide

diethylzinc

Downstream raw materials:

4-(Buten-2-yl)-bernsteinsaeureanhydrid

butyl-dichloro-methyl-silane

2-sec-butyl-6-ethylphenol

valeric acid

Refernces

• 1、 Ren, Xiaoyu,Wesolek, Marcel,Bailly, Corinne,Karmazin, Lydia,Braunstein, Pierre. "Silver(I) and Nickel(II) Complexes with Oxygen- or Nitrogen-Functionalized NHC Ditopic Ligands and Catalytic Ethylene Oligomerization". . p. 1073 - 1087. Retrieved 2020.
• 2、 Franco Finol,Rooke,Siffert,Cousin,Carniti,Gervasini,Giraudon,Su,Lamonier. "Hierarchically porous Nb-TiO2 nanomaterials for the catalytic transformation of 2-propanol and n-butanol". . p. 1988 - 1995. Retrieved 2014.
• 3、 Kangvansura, Praewpilin,Chew, Ly May,Saengsui, Worasarit,Santawaja, Phatchada,Poo-arporn, Yingyot,Muhler, Martin,Schulz, Hans,Worayingyong, Attera. "Product distribution of CO2 hydrogenation by K- and Mn-promoted Fe catalysts supported on N-functionalized carbon nanotubes". . p. 59 - 65. Retrieved 2016.
• 4、 Rodriguez,Leconte,Basset,Tanaka,Tanaka. "HYDROGENOLYSIS AND HOMOLOGATION OF LINEAR AND BRANCHED PENTENES ON Ru/SiO2 CATALYSTS: IMPLICATION IN THE MECHANISM OF C-C BOND FORMATION AND CLEAVAGE ON METAL SURFACES.". . p. 275 - 278. Retrieved 1988.
• 5、 Davies, Sian C.,Henderson, Richard A.,Hughes, David L.,Oglieve, Kay E.. "Protonation of an internal alkyne produces a terminal alkene: Reactivity of [Mo(η2-MeCCMe)(Ph2PCH2CH 2PPh2)2]". . p. 2039 - 2040. Retrieved 1996.
• 6、 Kishan,Coulier,De Beer,Van Veen,Niemantsverdriet. "Preparation of highly active NiW hydrotreating model catalysts with 1,2- cyclohexanediamine-N,N,N'N'-tetraacetic acid (CyDTA) as a chelating agent". . p. 1103 - 1104. Retrieved 2000.
• 7、 Serna, Pedro,Gates. "A bifunctional mechanism for ethene dimerization: Catalysis by rhodium complexes on zeolite HY in the absence of halides". . p. 5528 - 5531. Retrieved 2011.
• 8、 Li, Wan-Fei,Sun, Hong-Mei,Chen, Mu-Zi,Shen, Qi,Zhang, Yong. "Synthesis and catalytic activity of neutral salicylaldiminato nickel(II) complexes bearing a single N-heterocyclic carbene ligand". . p. 2047 - 2051. Retrieved 2008.
• 9、 Martinez, Jesus,Gill, John B.,Adams, Harry,Bailey, Neil A.,Saez, Isabel M.,et al.. "Syntheses, structures, and reactions of alkenyl-dirhodium complexes: coupling μ-methylene and ?-vinyl to allyl; an entry to μ-ethylidene-μ-methylene dirhodium complexes. Crystal structures of 2> and <(C5Me5Rh)2(μ-CH2)(μ-CHMe)Cl2". . p. 583 - 599. Retrieved 1990.
• 10、 Olchansk, Erna,Burcat, Alexander. "Decane oxidation in a shock tube". . p. 703 - 713. Retrieved 2006.