2-Bromo-1-heptene

Base Information

• Chemical Name: 2-Bromo-1-heptene
• CAS No.: 3252-91-3
• Molecular Formula: C7H13 Br
• Molecular Weight: 177.084
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90455742
• Nikkaji Number: J97.497H
• Wikidata: Q82277859
• Mol file: 3252-91-3.mol

Synonyms:2-Bromo-1-heptene;2-bromohept-1-ene;3252-91-3;MFCD00671859;SCHEMBL8924372;DTXSID90455742;AKOS016016638

Chemical Property of 2-Bromo-1-heptene

Chemical Property:

• Vapor Pressure: 2.987mmHg at 25°C
• Melting Point: -98°C (estimate)
• Refractive Index: 1.461
• Boiling Point: 161.3°Cat760mmHg
• Flash Point: 61°C
• PSA: 0.00000
• Density: 1.163g/cm³
• LogP: 3.47530
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 66.8

Purity/Quality:

96% ^*data from raw suppliers

2-Bromo-1-heptene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=C)Br

Technology Process of 2-Bromo-1-heptene

There total 7 articles about 2-Bromo-1-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: 83.0%

n-butyl magnesium bromide (693-03-8) + 2-bromoallyl bromide (513-31-5) → 2-bromo-1-heptene (3252-91-3)

Guidance literature:

With copper(l) chloride; In diethyl ether; Inert atmosphere; Reflux;

DOI:10.1021/ol8016148

Reference yield: 80.0%

1-Heptyne (628-71-7) → 2-bromo-1-heptene (3252-91-3)

Guidance literature:

With Tetraethylammoniumhydroxid; In dichloromethane; at 40 ℃; for 4h;

DOI:10.1055/s-1980-29212

Reference yield: 53.0%

n-Butyl chloride (109-69-3) + 2-bromoallyl bromide (513-31-5) → 2-bromo-1-heptene (3252-91-3)

Guidance literature:

n-Butyl chloride; With iodine; magnesium; In diethyl ether; Heating;

2-bromoallyl bromide; In diethyl ether; for 2h; Heating;

DOI:10.1007/s00706-005-0358-z

upstream raw materials:

n-butyl magnesium bromide

2-bromoallyl bromide

1-heptynyltrimethylsilane

n-pentyl methyl ketone

Downstream raw materials:

1-Heptene

1-heptynyltrimethylsilane

1-(1-heptynyl)cyclopentan-1-ol

(R)-1-(tert-Butyl-diphenyl-silanyloxy)-4-methylene-nonan-2-ol