3-Methylpenta-1,3-diene

Base Information

• Chemical Name: 3-Methylpenta-1,3-diene
• CAS No.: 4549-74-0
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID90871089
• Mol file: 4549-74-0.mol

Synonyms:3-METHYL-1,3-PENTADIENE;3-methylpenta-1,3-diene;1,3-Pentadiene, 3-methyl-;(E)-3-methylpenta-1,3-diene;DTXSID90871089;FT-0635359;FT-0690521;M0314;D91314

Chemical Property of 3-Methylpenta-1,3-diene

Chemical Property:

• Vapor Pressure: 108mmHg at 25°C
• Melting Point: -94.9°C (estimate)
• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 77°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.707g/cm³
• LogP: 2.13860
• Storage Temp.: Refrigerator
• Water Solubility.: 111.6g/L(25 oC)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 68.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-1,3-pentadiene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=C(C)C=C
• Uses: 3-Methyl-1,3-pentadiene was used in the synthesis of two major nitronic ester cycloadducts by the tin(IV)-catalyzed reaction with β-nitrostyrene in toluene.

Technology Process of 3-Methylpenta-1,3-diene

There total 7 articles about 3-Methylpenta-1,3-diene 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:

(Z)-3,4-dimethyl-2-pentene (4914-91-4) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + penta-2,3-diene (591-96-8) + 2,3-dimethylbutene (590-19-2) + 3-methyl-1,3-pentadiene (4549-74-0) + prop-1-yne (74-99-7) + isoprene (78-79-5,9003-31-0)

Guidance literature:

With oxygen; In gas; at 20 ℃; under 5 Torr; Product distribution; Mechanism; Irradiation; gas phase photolysis in the presence of oxygen; effect of the pressure;

Reference yield:

3-Methyl-3-buten-2-one (814-78-8,25988-32-3) + Ketene (463-51-4) → 3-methyl-1,3-pentadiene (4549-74-0) + 2,3-dimethyl-buta-1,3-diene (513-81-5)

Guidance literature:

With zinc(II) chloride; at 0 - 10 ℃; folgende Pyrolyse bei 100-120grad;

Reference yield:

3-Methyl-3-buten-2-one (814-78-8,25988-32-3) + Ketene (463-51-4) → 3-methyl-1,3-pentadiene (4549-74-0) + 2,3-dimethyl-buta-1,3-diene (513-81-5)

Guidance literature:

at 0 - 10 ℃; Pyrolysis;

upstream raw materials:

3-Methyl-3-buten-2-one

Ketene

(Z)-3,4-dimethyl-2-pentene

n-hexan-3-one

Downstream raw materials:

3,4-dimethyl-cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester

maleic acid

(E)-5-methylhexa-3,5-dien-2-one

(2E,5E)-5-methylhepta-3,5-dien-2-one

Refernces

• 1、 Deslauriers, Helene,Collin, Guy J.. "Isomerisation des radicaux insatures. III. Radicaux α,α,β-, α,β,γ- et α,α,γ-trimethallyles". . p. 3168 - 3173. Retrieved 2007/10/02.