(E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl-

Base Information

• Chemical Name: (E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl-
• CAS No.: 22430-49-5
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• Nikkaji Number: J961.126F,J792.630H
• Wikidata: Q107856925
• Mol file: 22430-49-5.mol

Synonyms:22430-49-5;(E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl-;1,4-di-tert-butyl-1,3-butadiene;93222-97-0;trans, trans-((tert-C4H9)CH=CH)2;(1E,3E)-1,4-Di-tert-butyl-1,3-butadiene;(3E,5E)-2,2,7,7-tetramethyl-3,5-octadiene;(3E,5E)-2,2,7,7-tetramethyl-octa-3,5-diene;3,5-Octadiene, 2,2,7,7-tetramethyl-, (E,E)-

Chemical Property of (E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl-

Chemical Property:

• Vapor Pressure: 0.448mmHg at 25°C
• Boiling Point: 200.9°Cat760mmHg
• Flash Point: 67.3°C
• PSA: 0.00000
• Density: 0.777g/cm³
• LogP: 4.19100
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C=CC=CC(C)(C)C
• Isomeric SMILES: CC(/C=C/C=C/C(C)(C)C)(C)C

Technology Process of (E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl-

There total 8 articles about (E,E)-3,5-Octadiene, 2,2,7,7-tetramethyl- 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: 76.0%

cyclohexenone (930-68-7) + 3,3-Dimethylbut-1-yne (917-92-0) → trans,trans-2,2,7,7-tetramethylocta-3,5-diene (22430-49-5) + 3-(trans-4,4-dimethylbuten-1-yl)cyclohexanone (65091-00-1)

Guidance literature:

With Schwartz's reagent; Ni(mesal)2; diisobutylaluminium hydride; Product distribution; 2.) THF, 0 deg C, 4 h, multistep, other reagents;

DOI:10.1021/ja00524a017

Reference yield: 27.0%

<(E)-3,3-dimethyl-1-butenyl>mercuric chloride (36525-02-7,79178-05-5) + cyclohexene (110-83-8) → 2-tert-butyl-5,5-dimethyl-hexa-1,3t-diene (35505-57-8) + trans,trans-2,2,7,7-tetramethylocta-3,5-diene (22430-49-5) + 3-<(E)-3,3-dimethyl-1-butenyl>cyclohexene (115562-32-8)

Guidance literature:

With lithium tetrachloropalladate(II); triethylamine; In tetrahydrofuran; at -78 - 23 ℃;

DOI:10.1021/jo00253a026

Reference yield: 14.0%

<(E)-3,3-dimethyl-1-butenyl>mercuric chloride (36525-02-7,79178-05-5) → 2-tert-butyl-5,5-dimethyl-hexa-1,3t-diene (35505-57-8) + trans,trans-2,2,7,7-tetramethylocta-3,5-diene (22430-49-5) + 3-<(E)-3,3-dimethyl-1-butenyl>cyclohexene (115562-32-8)

Guidance literature:

With lithium tetrachloropalladate(II); triethylamine; cyclohexene; In tetrahydrofuran; at -78 - 23 ℃;

DOI:10.1021/jo00253a026

upstream raw materials:

cyclohexenone

3,3-Dimethylbut-1-yne

(Z)-1-iodohex-1-ene

C₁₄H₂₉Al