3-METHYL-2-HEPTENE

Base Information

• Chemical Name: 3-METHYL-2-HEPTENE
• CAS No.: 3404-75-9
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 672-625-2
• DSSTox Substance ID: DTXSID401015848
• Nikkaji Number: J714.404K,J256.604D
• Mol file: 3404-75-9.mol

Synonyms:3-Methyl-2-heptene

Chemical Property of 3-METHYL-2-HEPTENE

Chemical Property:

• Refractive Index: 1.4180-1.4200
• Boiling Point: 120°Cat760mmHg
• Flash Point: 9.2°C
• PSA: 0.00000
• Density: 0.728g/cm³
• LogP: 3.14280
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

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

3-Methyl-2-heptene (cis- and trans- mixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCC(=CC)C
• Isomeric SMILES: CCCC/C(=C/C)/C

Technology Process of 3-METHYL-2-HEPTENE

There total 6 articles about 3-METHYL-2-HEPTENE 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: 18.0%

C12H24B(1-)*Li(1+) (121826-81-1) + dimethyl sulfate (77-78-1) → 6-Methylundec-5-ene (859742-90-8) + methylheptene (3404-75-9) + hex-1-yne (693-02-7)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1016/S0040-4039(00)80450-5

Reference yield:

7-iodo-3-methyl-hept-1-ene → methylheptene (3404-75-9) + 3-methyl-1-heptene (4810-09-7) + 1,2-Dimethyl-cyclohexane (583-57-3) + methylcycloheptane (4126-78-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In benzene; Heating;

DOI:10.1021/ol0160755

Reference yield:

C9H18B(1-)*Li(1+) (121826-88-8) → 2-Methyl-2-heptanol (625-25-2) + methylheptene (3404-75-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)80450-5

upstream raw materials:

C₉H₁₈B^(1-)*Li⁽¹⁺⁾

C₁₂H₂₄B^(1-)*Li⁽¹⁺⁾

dimethyl sulfate

3-methyl-3-heptanol

Downstream raw materials:

3-methylheptane

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