7-Bromo-2-heptene

Base Information

• Chemical Name: 7-Bromo-2-heptene
• CAS No.: 90321-84-9
• Molecular Formula: C₇H₁₃Br
• Molecular Weight: 177.084
• DSSTox Substance ID: DTXSID80701447
• Mol file: 90321-84-9.mol

Synonyms:7-Bromo-2-heptene;90321-84-9;7-Bromohept-2-ene;DTXSID80701447

Chemical Property of 7-Bromo-2-heptene

Chemical Property:

• Melting Point: -98°C (estimate)
• Refractive Index: 1.4026 (estimate)
• Boiling Point: 161.96°C (estimate)
• PSA: 0.00000
• Density: 1.1702 (estimate)
• LogP: 3.12770
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCCCBr

Technology Process of 7-Bromo-2-heptene

There total 3 articles about 7-Bromo-2-heptene 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:

heptene-5 ol-1 (89794-36-5) → 1-Brom-hepten-(5) (90321-84-9)

Guidance literature:

With pyridine; phosphorus tribromide; In diethyl ether;

DOI:10.1021/jo01263a121

Reference yield:

hepta-1,5-diene (1541-23-7) → 1-Brom-hepten-(5) (90321-84-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄, BF₃-Et₂O, 2-methyl-but-2-ene / bis-(2-methoxy-ethyl) ether

2: PBr₃, Py / diethyl ether

With pyridine; sodium tetrahydroborate; 2-methyl-but-2-ene; boron trifluoride diethyl etherate; phosphorus tribromide; In diethyl ether; diethylene glycol dimethyl ether;

DOI:10.1021/jo01263a121

Reference yield:

→ 1-Brom-hepten-(5) (90321-84-9)

Guidance literature:

Hepten-(5)-ol-(1), PBr3 ;

upstream raw materials:

heptene-5 ol-1

hepta-1,5-diene