2,7-Octadien-1-OL

Base Information

• Chemical Name: 2,7-Octadien-1-OL
• CAS No.: 23578-51-0
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.199
• Hs Code.: 2905299090
• European Community (EC) Number: 678-321-6
• Nikkaji Number: J1.229.185J,J34.605E
• Wikidata: Q63396221
• Mol file: 23578-51-0.mol

Synonyms:23578-51-0;2,7-OCTADIEN-1-OL;2,7-Octadienol;1-Octa-2,7-dienol;(2E)-octa-2,7-dien-1-ol;Octa-2,7-dien-1-ol;(E)-octa-2,7-dien-1-ol;2,7-Octadienol(cis+trans);62179-18-4;SCHEMBL514948;(E)-2,7-Octadiene-1-ol;YHYGSIBXYYKYFB-VOTSOKGWSA-N;(2E)-2,7-Octadien-1-ol #;YAA57851;MFCD00191472;4,4-BIS(DIMETHYLAMINO)BENZIL;LS-97794;CS-0449877;A878208;Q63396221

Chemical Property of 2,7-Octadien-1-OL

Chemical Property:

• Vapor Pressure: 0.0945mmHg at 25°C
• Refractive Index: 1.4590-1.4630
• Boiling Point: 197.8°C at 760 mmHg
• PKA: 14.69±0.10(Predicted)
• Flash Point: 83°C
• PSA: 20.23000
• Density: 0,87 g/cm3
• LogP: 1.89120
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

98% ^*data from raw suppliers

2,7-Octadienol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCC=CCO
• Isomeric SMILES: C=CCCC/C=C/CO

Technology Process of 2,7-Octadien-1-OL

There total 6 articles about 2,7-Octadien-1-OL 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: 21.0%

1,2-epoxy-7-octene (52485-73-1,105205-70-7,126872-17-1,19600-63-6) → 7-octene-2-one (3664-60-6) + oct-7-enal (21573-31-9) + 2,7-octadiene-1-ol (62179-18-4,79972-62-6,23578-51-0)

Guidance literature:

With magnesium bromide; In N,N-dimethyl-formamide; at 130 ℃; for 0.166667h;

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → polybutadiene + octa-1,3,7-triene (1002-35-3) + 1,3,6-octatriene (929-20-4) + 4-ethenylcyclohexene (100-40-3) + 1,7-octadien-3-ol (30385-19-4) + 2,7-octadiene-1-ol (62179-18-4,79972-62-6,23578-51-0)

Guidance literature:

With carbon dioxide; water; triethylamine; palladium diacetate; sodium 3-(diphenylphosphanyl)benzenesulfonate; 1-butyl-2,3-methylimidazolium tetrafluoroborate; In n-heptane; at 85 ℃; for 5h; under 3750.38 Torr;

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,3,7-octatriene and 1,3,6-octatriene; mixture of + 4-ethenylcyclohexene (100-40-3) + 1,7-octadien-3-ol (30385-19-4) + 2,7-octadiene-1-ol (62179-18-4,79972-62-6,23578-51-0)

Guidance literature:

With carbon disulfide; water; sodium 3-(diphenylphosphanyl)benzenesulfonate; triethylamine; 1-butyl-2,3-methylimidazolium tetrafluoroborate; palladium diacetate; at 85 ℃; for 3h; under 3750.38 Torr; Product distribution / selectivity;

upstream raw materials:

1,2-epoxy-7-octene

buta-1,3-diene

Isosorbide

Downstream raw materials:

2-Phenyl-4,9-decadiennitril

3-Phenyl-5,10-undecadien-2-on

N-2,7-octadienyl-p-toluenesulfonamide

4-Methyl-N,N-bis-((E)-octa-2,7-dienyl)-benzenesulfonamide

Refernces

• 1、 Mel'nik,Khvatova,Moskvichev,Srednev,Egorova. "Liquid-phase isomerization of saturated and unsaturated epoxides". . p. 167 - 169. Retrieved 2007/10/03.
• 2、 -. "Process of telomerizing conjugated dienes". Page 28-29. . Retrieved 2008/06/13.