3-Methyl-1-pentene

Base Information

• Chemical Name: 3-Methyl-1-pentene
• CAS No.: 760-20-3
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• European Community (EC) Number: 212-076-4
• NSC Number: 73909
• UNII: WT3LD9LU1F
• DSSTox Substance ID: DTXSID20870762
• Nikkaji Number: J43.508B
• Wikidata: Q106902717
• Mol file: 760-20-3.mol

Synonyms:3-METHYL-1-PENTENE;3-Methylpent-1-ene;760-20-3;1-Pentene, 3-methyl-;Ethene, trimer;Pentene, 3-methyl-;WT3LD9LU1F;EINECS 212-076-4;NSC 73909;NSC-73909;26702-69-2;2-Vinylbutane;sec-Butylethene;3-methylpentene-1;NSC73909;1-Pentene,3-methyl-;UNII-WT3LD9LU1F;3-Methyl-1-pentene, 99%;C2H5CH(CH3)CH=CH2;DTXSID20870762;MFCD00009339;AKOS009156588;(C2-H4)3;FT-0616040;FT-0616041;M0575;D91359;EN300-1826081;207352-01-0

Chemical Property of 3-Methyl-1-pentene

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 436 mm Hg ( 37.7 °C)
• Melting Point: −154 °C(lit.)
• Refractive Index: n20/D 1.384(lit.)
• Boiling Point: 54 °C(lit.)
• Flash Point: −20 °F
• PSA: 0.00000
• Density: 0.67 g/mL at 25 °C(lit.)
• LogP: 2.21850
• Storage Temp.: 0-6°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 37.3

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-1-pentene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 9-16-29-33-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C=C
• Uses: 3-Methyl-1-pentene has been used to study the rate constant of chlorine atom.

Technology Process of 3-Methyl-1-pentene

There total 47 articles about 3-Methyl-1-pentene 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:

ethene (74-85-1) → 2-ethyl-1-butene (760-21-4) + 3-Methyl-cis-2-penten (922-62-3) + (E)-3-methyl-2-pentene (616-12-6) + cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + 3-methyl-1-pentene (760-20-3,13643-02-2)

Guidance literature:

With C₁₈H₃₂Br₃NNiO₂P₂S; In toluene; at 34 ℃; for 1h; under 3750.38 Torr; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201402430

Reference yield:

ethene (74-85-1) → 2-ethyl-1-butene (760-21-4) + 3-Methyl-cis-2-penten (922-62-3) + (E)-3-methyl-2-pentene (616-12-6) + cis-3-hexene (7642-09-3) + trans-3-Hexene (13269-52-8) + cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + 3-methyl-1-pentene (760-20-3,13643-02-2)

Guidance literature:

With C₃₄H₃₃Br₂NNiO₂P₂S; In toluene; at 30 ℃; for 1h; under 3750.38 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejic.201402430

upstream raw materials:

oxirane

s-butylmagnesium chloride

diethyl ether

3-bromo-1-butene

Downstream raw materials:

3-Methyl-1-[(E)-phenylimino]-pentan-2-one

N-phenyl-N-(3-methyl-2-oxo-1-pentyl)triflamide

4-methylhexanal

2,3-dimethylvaleraldehyde