1,6-Heptadiyne

Base Information

• Chemical Name: 1,6-Heptadiyne
• CAS No.: 2396-63-6
• Molecular Formula: C7H8
• Molecular Weight: 92.1405
• Hs Code.: 29012990
• European Community (EC) Number: 219-253-5
• NSC Number: 353895
• UNII: 4Q2T7VS4RE
• DSSTox Substance ID: DTXSID2062373
• Nikkaji Number: J49.274D
• Wikidata: Q72481244
• Mol file: 2396-63-6.mol

Synonyms:1,6-Heptadiyne;2396-63-6;hepta-1,6-diyne;EINECS 219-253-5;NSC 353895;BRN 1731756;NSC-353895;4-01-00-01121 (Beilstein Handbook Reference);1,6-Heptadiyne, 97%;NSC353895;4Q2T7VS4RE;WLN: 1UU5UU1;DTXSID2062373;MFCD00014925;AKOS015836213;LS-74230;FT-0626888;H0483;D90884;A817008;J-015292;30523-92-3

Chemical Property of 1,6-Heptadiyne

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 25.9mmHg at 25°C
• Melting Point: -85 °C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 111.5 °C(lit.)
• Flash Point: 49 °F
• PSA: 0.00000
• Density: 0.805 g/mL at 25 °C(lit.)
• LogP: 1.42310
• Storage Temp.: Refrigerator (+4°C)
• Water Solubility.: Insoluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 92.062600255
• Heavy Atom Count: 7
• Complexity: 97.5

Purity/Quality:

99% ^*data from raw suppliers

1,6-Heptadiyne ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: C#CCCCC#C
• Uses: 1,6-Heptadiyne may be used in the preparation of free-standing polymer films of poly(1,6-heptadiyne). Polymerization of 1,6-heptadiyne using an insoluble Zeigler-Natta catalyst affords soluble polymer having six-membered ring containing polyene. Ruthenium(II)-catalyzed reaction of a substituted 1,6-heptadiyne with norbornene affords a tandem [2+ 2+ 2]/[4+2] cycloaddition product and a [2+ 2+2] cycloadduct. 1,6-Heptadiyne may be used in the preparation of free-standing polymer films of poly(1,6-heptadiyne).

Technology Process of 1,6-Heptadiyne

There total 4 articles about 1,6-Heptadiyne 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:

sodium acetylide (1066-26-8) + 1,3-dibromo-propane (109-64-8) → hepta-1,6-diyne (2396-63-6)

Guidance literature:

Reference yield:

ammonia (7664-41-7) + sodium acetylide (1066-26-8) + 1,3-dibromo-propane (109-64-8) → hepta-1,6-diyne (2396-63-6)

Guidance literature:

DOI:10.1021/ja01219a033

Reference yield:

1,3-dibromo-propane (109-64-8) + acetylene (74-86-2,25067-58-7) → hepta-1,6-diyne (2396-63-6)

Guidance literature:

beim Behandeln von Mononatriumacetylenid;

upstream raw materials:

sodium acetylide

1,3-dibromo-propane

acetylene

ammonia

Downstream raw materials:

1,6-undecadiyne

1,3-bis(2,3-dihydro-1H-inden-5-yl)propane

5-(4-pentyn-1-yl)-1H-2,3-dihydroindene

3-benzoyl-1-(5-pentynyl)cyclopropene