7-Bromo-1,3,5-cyclooctatriene

Base Information

• Chemical Name: 7-Bromo-1,3,5-cyclooctatriene
• CAS No.: 16327-13-2
• Molecular Formula: C8H9 Br
• Molecular Weight: 185.06
• Hs Code.: 2903890090
• Nikkaji Number: J2.154.199K
• Mol file: 16327-13-2.mol

Synonyms:7-Bromo-1,3,5-cyclooctatriene;(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene;16327-13-2;SCHEMBL11339070;(1Z,3Z,5Z)-7-Bromo-1,3,5-cyclooctatriene

Chemical Property of 7-Bromo-1,3,5-cyclooctatriene

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Boiling Point: 217.4°Cat760mmHg
• Flash Point: 79.8°C
• PSA: 0.00000
• Density: 1.359g/cm³
• LogP: 2.82220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 183.98876
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC=CC=CC1Br
• Isomeric SMILES: C1/C=C\C=C/C=C\C1Br

Technology Process of 7-Bromo-1,3,5-cyclooctatriene

There total 4 articles about 7-Bromo-1,3,5-cyclooctatriene 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:

cyclooctatetraene (477773-51-6) → 7-bromo-1,3,5-cyclooctatriene (16327-13-2)

Guidance literature:

With chloroform; hydrogen bromide; acetic acid; at 20 ℃;

Reference yield:

1,3,5,7-cyclooctatetraene (629-20-9) → 7-bromo-1,3,5-cyclooctatriene (16327-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH, Zn / ethanol

2: NBS

With sodium hydroxide; N-Bromosuccinimide; zinc; In ethanol;

Reference yield:

cyclo-octa-1,3,6-triene (114811-56-2) → 7-bromo-1,3,5-cyclooctatriene (16327-13-2)

Guidance literature:

With N-Bromosuccinimide;

upstream raw materials:

cyclooctatetraene

cyclo-octa-1,3,6-triene

1,3,5,7-cyclooctatetraene

Downstream raw materials:

2,4,6-octatrienal

nona-3t,5t,7t-trien-2-one

anti-3-methyl-N-phenyl-7,8-diazatricyclo<4.2.2.0^2,5>dec-9-ene-7,8-dicarboximide

syn-3-methyl-N-phenyl-7,8-diazatricyclo<4.2.2.0^2,5>dec-9-ene-7,8-dicarboximide