1002-27-3

Basic information

• Product Name: 1,3,6-HEPTATRIENE
• Synonyms: (3E)-1,3,6-Heptatriene;1,3,6-HEPTATRIENE
• CAS NO: 1002-27-3
• Molecular Formula: C₇H₁₀
• Molecular Weight: 94.15
• Mol File: 1002-27-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 101.2 °C at 760 mmHg
• Flash Point: °C
• Appearance: /
• Density: 0.736 g/cm³
• Vapor Pressure: 40.9mmHg at 25°C
• Refractive Index: 1.444
• CAS DataBase Reference: 1,3,6-HEPTATRIENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,6-HEPTATRIENE(1002-27-3)
• EPA Substance Registry System: 1,3,6-HEPTATRIENE(1002-27-3)

Safety Data

• Hazardous Substances Data: 1002-27-3(Hazardous Substances Data)

Usage

General Description

1,3,6-Heptatriene, also known as heptatriene, is a colorless, flammable liquid hydrocarbon with the molecular formula C7H10. It is classified as an aliphatic hydrocarbon and belongs to the class of compounds known as conjugated dienes. Heptatriene is commonly used as a building block in the synthesis of various organic compounds and is also used as a monomer in the production of plastics and rubbers. It is highly reactive due to its conjugated structure, and can undergo rapid polymerization and addition reactions with various reagents. Heptatriene is considered a hazardous chemical and should be handled with caution due to its flammability and potential health hazards.

InChI:InChI=1/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2,6H2/b7-5+

Upstream product

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Relevant articles and documents

One-pot Synthesis of 1,3-Butadiene and 1,6-Hexanediol Derivatives from Cyclopentadiene (CPD) via Tandem Olefin Metathesis Reactions

A novel tandem reaction of cyclopentadiene leading to high value linear chemicals via ruthenium catalyzed ring opening cross metathesis (ROCM), followed by cross metathesis (CM) is reported. The ROCM of cyclopentadiene (CPD) with ethylene using commercially available 2nd gen. Grubbs metathesis catalysts (1-G2) gives 1,3-butadiene (BD) and 1,4-pentadiene (2) (and 1,4-cyclohexadiene (3)) with reasonable yields (up to 24 % (BD) and 67 % (2+3) at 73 % CPD conversion) at 1–5 mol % catalyst loading in toluene solution (5 V% CPD, 10 bar, RT) in an equilibrium reaction. The ROCM of CPD with cis-butene diol diacetate (4) using 1.00 - 0.05 mol % of 3rd gen. Grubbs (1-G3) or 2nd gen. Hoveyda-Grubbs (1-HG2) catalysts loading gives hexa-2,4-diene-1,6-diyl diacetate (5), which is a precursor of 1,6-hexanediol (an intermediate in polyurethane, polyester and polyol synthesis) and hepta-2,5-diene-1,7-diyl diacetate (6) in good yield (up to 68 % or TON: 1180). Thus, convenient and selective synthetic procedures are revealed by ROCM of CPD with ethylene and 4 leading to BD and 1,6-hexanediol precursor, respectively, as key components of commercial intermediates of high-performance materials.