1,3-Nonadiene, (E)-

Base Information

• Chemical Name: 1,3-Nonadiene, (E)-
• CAS No.: 56700-77-7
• Molecular Formula: C9H16
• Molecular Weight: 124.226
• DSSTox Substance ID: DTXSID201020150
• Nikkaji Number: J128.978K,J2.360.085D
• Mol file: 56700-77-7.mol

Synonyms:1,3-Nonadiene, (E)-;(E)-1,3-Nonadiene;1,3-Nonadiene;56700-77-7;(E)-n-C5H11CH=CHCH=CH2;1,cis-3-nonadiene;nona-1,3-diene;1,trans-3-Nonadiene;trans-1,3-Nonadiene;(3E)-1,3-Nonadiene;CLNYHERYALISIR-FNORWQNLSA-N;DTXSID201020150;AKOS024264255

Chemical Property of 1,3-Nonadiene, (E)-

Chemical Property:

• Vapor Pressure: 4.52mmHg at 25°C
• Boiling Point: 152.2°Cat760mmHg
• Flash Point: 33°C
• PSA: 0.00000
• Density: 0.749g/cm³
• LogP: 3.30890
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 124.125200510
• Heavy Atom Count: 9
• Complexity: 80

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC=C
• Isomeric SMILES: CCCCC/C=C/C=C

Technology Process of 1,3-Nonadiene, (E)-

There total 2 articles about 1,3-Nonadiene, (E)- 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: 20.0%

(3Z)-1-chloro-3-nonene → non-1-ene (124-11-8) + cis-1-n-pentylbuta-1,3-diene (56700-77-7)

Guidance literature:

(3Z)-1-chloro-3-nonene; With n-butyllithium; zirconocene dichloride; In diethyl ether; hexane; at -50 - 34 ℃;

With hydrogenchloride; In diethyl ether; hexane; at 20 ℃;

DOI:10.1002/anie.200501946

Reference yield:

5,5-bis(benzenesulfonyl)nonane (110210-28-1) + potassium tert-butylate (865-47-4) + tert-butyl alcohol (75-65-0) → (E,Z)-1,3-nonadiene (56700-77-7,77192-27-9,3382-61-4) + phenyl pentyl sulfone (34009-04-6) + Benzenesulfinic acid (618-41-7)

Guidance literature:

DOI:10.1021/jo01367a002

Reference yield: 73.0%

(E,Z)-1,3-nonadiene (56700-77-7,77192-27-9,3382-61-4) → C18H32

Guidance literature:

With [(dppm)CoBr₂]; zinc(II) iodide; zinc; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201103613

upstream raw materials:

5,5-bis(benzenesulfonyl)nonane

potassium tert-butylate

tert-butyl alcohol

Downstream raw materials:

1-(1,1'-bicyclopropyl-1-yl)-3-pentylbenzene

dimethyl undecanedioate

(1R,2R,3R,4R)-2-pentyl-3-vinylcyclohexane-1,4-diol

(1S,2S,3S,4S)-2-pentyl-3-vinylcyclohexane-1,4-diol

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