1-Bromo-1-heptene

Base Information

• Chemical Name: 1-Bromo-1-heptene
• CAS No.: 89942-12-1
• Molecular Formula: C7H13Br
• Molecular Weight: 177.084
• Nikkaji Number: J97.496J,J905.590H
• Mol file: 89942-12-1.mol

Synonyms:1-BROMO-1-HEPTENE;(E)-1-bromo-1-heptene;89942-12-1;SCHEMBL3911847;XNCAEAZUROUZKT-VOTSOKGWSA-N

Chemical Property of 1-Bromo-1-heptene

Chemical Property:

• Vapor Pressure: 2.53mmHg at 25°C
• Melting Point: -98°C (estimate)
• Refractive Index: 1.4580
• Boiling Point: 164.8°C at 760 mmHg
• Flash Point: 63.3°C
• PSA: 0.00000
• Density: 1.173g/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: 57.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CBr
• Isomeric SMILES: CCCCC/C=C/Br

Technology Process of 1-Bromo-1-heptene

There total 14 articles about 1-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: 67.0%

2,3-dibromooctanoic acid (95658-29-0) → (E)/(Z)-1-bromo-1-heptene (89942-12-1)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 120 ℃; for 2h;

Reference yield: 31.0%

(bromomethyl)triphenyl phosphonium bromide (1034-49-7) + hexanal (66-25-1) → (E)/(Z)-1-bromo-1-heptene (89942-12-1)

Guidance literature:

(bromomethyl)triphenyl phosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

hexanal; In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.9b03113

Reference yield: 30.0%

methyl bromodifluoroacetate (683-98-7) + (E)-1-iodohept-1-ene (60595-37-1) → (E)/(Z)-1-bromo-1-heptene (89942-12-1) + (E)-2,2-Difluoro-non-3-enoic acid methyl ester (109872-88-0)

Guidance literature:

With copper; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 60 ℃; for 12h;

DOI:10.1016/S0040-4039(00)85409-X

upstream raw materials:

1,1-dibromoheptane

1,1,2-tribromo-heptane

1-bromo-hexane

Bromotrifluoromethane

Downstream raw materials:

1-Heptyne

1-Heptene

(1,3Z,5E)-undeca-1,3,5-triene

non-1-yne-3(E)-ene

Refernces

• 1、 -. "Preparation method of (E, Z)-2, 4-ethyl decadienoate". . . Retrieved 2019/05/15.
• 2、 Taguchi, Takeo,Kitagawa, Osamu,Morikawa, Tsutomu,Nishiwaki, Tohru,Uehara, Hideya,et al.. "SYNTHESIS OF 2,2-DIFLUOROESTERS BY IODODIFLUOROACETATE-COPPER WITH ORGANIC HALIDES". . p. 6103 - 6106. Retrieved 2007/10/02.