1-Heptenylbenzene

Base Information

• Chemical Name: 1-Heptenylbenzene
• CAS No.: 829-99-2
• Molecular Formula: C₁₃H₁₈
• Molecular Weight: 174.286
• Nikkaji Number: J1.151.360C,J370.678H,J113.607K
• Mol file: 829-99-2.mol

Synonyms:1-HEPTENYLBENZENE;Benzene, 1-heptenyl-;1-Heptene, 1-phenyl-;829-99-2;(E)-Hept-1-en-1-ylbenzene;(E)-1-Phenyl-1-heptene;(Z)-1-Phenyl-1-heptene;(1E)-1-Heptenylbenzene #;[(E)-hept-1-enyl]-benzene;Benzene, 1-heptenyl-, (E);PNLSTDKQAPNMDU-JXMROGBWSA-N

Chemical Property of 1-Heptenylbenzene

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Boiling Point: 254.1°Cat760mmHg
• Flash Point: 102.6°C
• PSA: 0.00000
• Density: 0.887g/cm³
• LogP: 4.28010
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 174.140850574
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC1=CC=CC=C1
• Isomeric SMILES: CCCCC/C=C/C1=CC=CC=C1

Technology Process of 1-Heptenylbenzene

There total 50 articles about 1-Heptenylbenzene 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: 86.0%

n-butyl magnesium bromide (693-03-8) + Cinnamyl bromide (4392-24-9) → 1-phenylhept-1-ene (10201-58-8,10201-59-9,829-99-2) + (+)-1-((S)-hept-1-en-3-yl)benzene

Guidance literature:

With C₃₈H₃₆FN₂O⁽¹⁺⁾*Cl^(1-); In diethyl ether; at -15 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201500495

Reference yield:

C27H22O4S (1334544-81-8) + C26H28O4S (1334544-80-7) → 1-phenylhept-1-ene (10201-58-8,10201-59-9,829-99-2) + stilbene (588-59-0)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; samarium diiodide; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/jo201734t

Reference yield:

α-hexyldibenzyl ketone (110826-46-5) → 1-hexene (592-41-6,25067-06-5) + 1-phenylhept-1-ene (10201-58-8,10201-59-9,829-99-2) + 1,2-Diphenyloctan (94686-18-7) + 1-(4-Heptyl-phenyl)-2-phenyl-ethanone + 1-Benzyl-2-butyl-4-phenyl-cyclobutanol + 1,3-Diphenylpropanone (102-04-5)

Guidance literature:

faujasite; Product distribution; Mechanism; Irradiation; modification of photochemical reactivity by zeolites;

DOI:10.1016/S0040-4039(01)93483-5

upstream raw materials:

oct-1-ene

butyl-hept-1-enyl ether

1-phenylheptan-1-ol

n-butyllithium

Downstream raw materials:

hept-6-en-1-ylbenzene

heptylbenzene

3,5-dipentyl-1,2,4-trioxolan

5-pentyl-3-phenyl-1,2,4-trioxolan