1,3-Hexadiene

Base Information

• Chemical Name: 1,3-Hexadiene
• CAS No.: 20237-34-7
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• European Community (EC) Number: 209-759-4
• DSSTox Substance ID: DTXSID50897341
• Nikkaji Number: J149.645J,J188.466B
• Wikidata: Q82873308
• Mol file: 20237-34-7.mol

Synonyms:1,3-HEXADIENE;592-48-3;(3E)-hexa-1,3-diene;(E)-1,3-Hexadiene;C2H5CH=CHCH=CH2;1,3-Hexadiene,c&t;20237-34-7;cis,trans-Hexa-1,3-diene;1,3-Hexadiene, (E)-;EINECS 209-759-4;1,3-Hexadiene(c,t);1,3-Hexadiene cis + trans;(3E)-1,3-Hexadiene #;trans-1,3-Hexadiene;1,trans-3-hexadiene;(E)-hexa-1,3-diene;1,3-Hexadiene (cis & trans);DTXSID50897341;AHAREKHAZNPPMI-AATRIKPKSA-N;AKOS005258315;GS-0598;EN300-1850077

Chemical Property of 1,3-Hexadiene

Chemical Property:

• Boiling Point: 73.1°Cat760mmHg
• Flash Point: °C
• Density: 0.706g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 51.1

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC=CC=C
• Isomeric SMILES: CC/C=C/C=C

Technology Process of 1,3-Hexadiene

There total 12 articles about 1,3-Hexadiene 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: 73.0%

Phosphorous acid diethyl ester (E)-1-ethyl-but-2-enyl ester → (2E,4E)-hexa-2,4-diene (5194-51-4) + 1,3-hexadiene (20237-34-7) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

With nickel dichloride; at 85 ℃; for 35h; Yield given;

DOI:10.1016/S0022-328X(00)99689-X

Reference yield: 7.0%

(2E,4E)-hexa-2,4-diene (5194-51-4) → (E,Z)-2,4-hexadiene (5194-50-3) + 1,3-hexadiene (20237-34-7) + cis,cis-2,4-Hexadien (6108-61-8)

Guidance literature:

In gas; under 0.1 - 0.2 Torr; Irradiation; radio frequency plasma;

DOI:10.1021/ja00277a036

Reference yield:

6-Bromo-1-hexene (2695-47-8) → 1,3-hexadiene (20237-34-7) + 1,5-Hexadien (592-42-7) + (E)-1,4-hexadiene (7319-00-8) + cyclohexene (110-83-8)

Guidance literature:

With magnesium; at 600 ℃; under 0.01 - 0.1 Torr; Title compound not separated from byproducts;

DOI:10.1039/b108663d

upstream raw materials:

(2E,4E)-hexa-2,4-diene

(E,Z)-2,4-hexadiene

trans-3-hexen-1-yne

triethylaluminum

Downstream raw materials:

(E,Z)-2,4-hexadiene

(2E,4E)-hexa-2,4-diene

cis,cis-2,4-Hexadien

(R)-(Z)-4-(difluoro)(phenyl)silyl-2-hexene

Refernces

• 1、 Aitken, R. Alan,Hodgson, Philip K.G.,Morrison, John J.,Oyewale, Adebayo O.. "Flash vacuum pyrolysis over magnesium. Part 1 - Pyrolysis of benzylic, other aryl/alkyl and aliphatic halides". . p. 402 - 415. Retrieved 2007/10/03.
• 2、 Viktorov,Zubritskii. "Catalytic Hydromagnesation of 1,3-Alkadienes". . p. 1706 - 1711. Retrieved 2007/10/03.