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.
• General Description: 1-Butene, also known as But-1-ene or alpha-Butene, is an α-olefin that can participate in platinum(II)-catalyzed intermolecular hydroarylation reactions with indoles. This reaction demonstrates its reactivity as an unactivated alkene, yielding hydroarylated products with moderate to good efficiency. The study underscores its utility in organic synthesis, particularly in the context of catalytic functionalization with heteroaromatic compounds like indoles.

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

Platinum(II)-catalyzed intermolecular hydroarylation of unactivated alkenes with indoles

10.1039/b607286k

The study explores the platinum(II)-catalyzed intermolecular hydroarylation of unactivated alkenes with indoles. The researchers discovered that ethylene, α-olefins, and vinyl arenes can undergo hydroarylation with substituted indoles in moderate to good yields using platinum(II) complexes as catalysts. The key chemicals involved include 1,2-dimethylindole, which reacts with ethylene under the catalysis of [PtCl2(H2CLCH2)]2 to produce 3-ethyl-1,2-dimethylindole. The study also examines the hydroarylation of α-olefins like propene and 1-butene, as well as vinyl arenes such as p-chlorostyrene, with indoles. The platinum(II) catalysts enable these reactions to proceed efficiently, even with various substituents on the indole ring, demonstrating good functional group compatibility and selectivity. The study highlights the potential for further development of more active and selective hydroarylation catalysts, contributing to the field of organic synthesis.

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