3-Methyl-1-butene

Base Information

• Chemical Name: 3-Methyl-1-butene
• CAS No.: 563-45-1
• Molecular Formula: C5H10
• Molecular Weight: 70.1344
• Hs Code.: 2901290000
• European Community (EC) Number: 209-249-1
• UN Number: 2561
• UNII: I08ZWX8BKL
• DSSTox Substance ID: DTXSID7060336
• Nikkaji Number: J6.505F
• Wikidata: Q27147525,Q83054803
• Mol file: 563-45-1.mol

Synonyms:3-METHYL-1-BUTENE;563-45-1;Isopentene;3-Methylbut-1-ene;Isopropylethylene;1-Butene, 3-methyl-;2-Methyl-3-butene;Vinylisopropyl;alpha-Isoamylene;Isopropylethene;.alpha.-Isoamylene;3-Methylbutene-1;UNII-I08ZWX8BKL;I08ZWX8BKL;(CH3)2CHCH=CH2;HSDB 5696;EINECS 209-249-1;UN2561;3-Methyl-1-butene (ca. 15% in Dichloromethane, ca. 2.5mol/L);3-Methyl-1-butene (ca. 12.5% in Tetrahydrofuran, ca. 1.5mol/L);MFCD00008937;Isopropileteno;isopropiletileno;33-Dimethylpropene;3-metil-1-buteno;2-Metil-3-buteno;3,3-Dimetilpropeno;3,3-dimethylpropene;1-Buteno, 3-metil-;3-Methyl-1-butene [UN2561] [Flammable liquid];3-Methyl-1-butene, 95%;DTXSID7060336;CHEBI:77914;3-METHYL-1-BUTENE [HSDB];NA2561;AKOS009159414;UN 2561;3-Methyl-1-butene, analytical standard;FT-0715805;M0177;M2563;M2564;M2565;3-Methyl-1-butene 100 microg/mL in Methanol;Q27147525;3-Methyl-1-butene (ca. 16.5% in N,N-Dimethylformamide, ca. 2mol/L)

Chemical Property of 3-Methyl-1-butene

Chemical Property:

• Appearance/Colour: A colorless volatile liquid with a disagreeable odor
• Vapor Pressure: 905mmHg at 25°C
• Melting Point: -168 °C
• Refractive Index: n20/D 1.364
• Boiling Point: 20.059 °C at 760 mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: -56.667 °C
• PSA: 0.00000
• Density: 0.658 g/cm³
• LogP: 1.82840
• Storage Temp.: −20°C
• Solubility.: Soluble in alcohol, benzene, and ether (Weast, 1986)
• Water Solubility.: 130 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 70.078250319
• Heavy Atom Count: 5
• Complexity: 27
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-1-butene (ca. 16.5% in N,N-Dimethylformamide, ca. 2mol/L) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+,Xn
• Hazard Codes: F+,Xn
• Statements: 12-36/37/38-65
• Safety Statements: 16-26-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC(C)C=C
• Physical properties: Colorless, flammable liquid or gas with a disagreeable odor
• Uses: 3-Methyl-1-butene has been used in asymmetric total synthesis of (?)-Linderol A, a potent inhibitor of melanin biosynthesis of cultured B-16 melanoma cells. Organic synthesis, high-octane fuel manufacture.

Technology Process of 3-Methyl-1-butene

There total 212 articles about 3-Methyl-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: 83.0%

(4S)-4-isopropyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide (190260-50-5) → 3-Methyl-1-butene (563-45-1) + benzonitrile (100-47-0)

Guidance literature:

at 600 ℃; under 0.001 Torr;

Reference yield: 28.72%

methylbutane (78-78-4) → 2-methyl-but-2-ene (513-35-9) + penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 2-Methyl-1-butene (563-46-2) + 3-Methyl-1-butene (563-45-1) + pentane (109-66-0,8031-35-4,9078-70-0) + isoprene (78-79-5,9003-31-0)

Guidance literature:

With platinum-aluminum catalyst; at 600 ℃; Gas phase;

DOI:10.1134/S1070427208090218

Reference yield: 10.0%

isoprene (78-79-5,9003-31-0) → 2-methyl-but-2-ene (513-35-9) + 2-Methyl-1-butene (563-46-2) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

With hydrogen; 1-n-butyl-3-methylimidazolium hexafluoroantimonate; [(bis(diphenylphosphino)ethane)Rh(norbornadiene)][PF₆];

upstream raw materials:

diethyl sulfate

isopentyl ether

2-methyl-but-2-ene

1,2-dibromo-3-methylbutane

Downstream raw materials:

isoprene

1,1,1,3-tetrachloro-4-methylpentane

isoamyl thioacetate

phenyl (2-methyl)but-2-yl sulphide

Refernces

• 1、 Klunder,Carr. "-". . p. 7386,7387. Retrieved 1973.
• 2、 Bartok,Lucchesi. "-". . p. 5918. Retrieved 1959.
• 3、 -. "METHOD FOR THE PREPARATION OF A COMPOSITION ENRICHED IN 2-METHYL-BUT-2-ENE AND USE FOR MAKING A POLYMER". Page/Page column 7-8. . Retrieved 2021/04/01.
• 4、 -. "PREPARATION OF OLEFIN BY ALCOHOL DEHYDRATION, AND USES THEREOF FOR MAKING POLYMER, FUEL OR FUEL ADDITIVE.". Page/Page column 10; 11. . Retrieved 2019/10/04.