1,11-Dodecadiene

Base Information

• Chemical Name: 1,11-Dodecadiene
• CAS No.: 5876-87-9
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• DSSTox Substance ID: DTXSID60207492
• Nikkaji Number: J100.213I
• Wikidata: Q83081406
• Mol file: 5876-87-9.mol

Synonyms:1,11-DODECADIENE;5876-87-9;dodeca-1,11-diene;Dodecadiene, 1,11-;DTXSID60207492;IYPLTVKTLDQUGG-UHFFFAOYSA-N;MFCD00048156;AKOS006229978;BS-22654;D0283;FT-0606042;D89622

Chemical Property of 1,11-Dodecadiene

Chemical Property:

• Vapor Pressure: 0.305mmHg at 25°C
• Refractive Index: 1.4370-1.4400
• Boiling Point: 208.6°Cat760mmHg
• Flash Point: 69.3°C
• PSA: 0.00000
• Density: 0.767g/cm³
• LogP: 4.47920
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 88.6

Purity/Quality:

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

1,11-Dodecadiene ^*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: C=CCCCCCCCCC=C

Technology Process of 1,11-Dodecadiene

There total 3 articles about 1,11-Dodecadiene 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: 63.6%

6-Bromo-1-hexene (2695-47-8) → 1-hexene (592-41-6,25067-06-5) + 1,11-dodecadiene (5876-87-9) + methyl-cyclopentane (96-37-7)

Guidance literature:

With potassium; In ammonia; tert-butyl alcohol; Product distribution; Mechanism; Heating;

DOI:10.1021/ja00276a032

Reference yield:

6-Bromo-1-hexene (2695-47-8) → 1-hexene (592-41-6,25067-06-5) + 1,11-dodecadiene (5876-87-9) + 1,1'-ethane-1,2-diyl-bis-cyclopentane (4461-16-9) + methyl-cyclopentane (96-37-7) + 7-cyclopentyl-1-heptene (51255-64-2)

Guidance literature:

With magnesium; In tetrahydrofuran; at 22 ℃; for 3h; Mechanism; Product distribution; var. temp., time, solvents, alkyl halide conc., Mg:RX ratio, magnesium activators, and magnesium purity, sonication; other alkyl halides;

DOI:10.1021/jo00261a016

Reference yield:

1 ,6-dibromohexane (629-03-8) + allyl bromide (106-95-6) + 3-Chloro-2-methylpropene (563-47-3) → 2-methyl-1,11-dodecadiene (34386-65-7) + 1,11-dodecadiene (5876-87-9) + 2,11-dimethyl-dodeca-1,11-diene (13287-11-1)

Guidance literature:

Multistep reaction; (i) Mg, THF, (ii) /BRN= 605308/, /BRN= 878160/;

upstream raw materials:

1 ,6-dibromohexane

allyl bromide

3-Chloro-2-methylpropene

6-Bromo-1-hexene

Downstream raw materials:

decanedial

ω-oxydecanocarboxylic acid

2-heptylcyclohexanone

1,10-decanedioic acid

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