1-Bromo-1,1-difluoro-2-heptene

Base Information

• Chemical Name: 1-Bromo-1,1-difluoro-2-heptene
• CAS No.: 262296-38-8
• Molecular Formula: C₇H₁₁BrF₂
• Molecular Weight: 213.065
• Hs Code.: 2903793090
• European Community (EC) Number: 670-901-7
• DSSTox Substance ID: DTXSID00420668
• Nikkaji Number: J607.905I
• Wikidata: Q76310517
• Mol file: 262296-38-8.mol

Synonyms:1-Bromo-1,1-difluoro-2-heptene;262296-38-8;(E)-1-bromo-1,1-difluorohept-2-ene;1-bromo-1,1-difluorohept-2-ene;e/z 1-bromo-1,1-difluorohept-2-ene;(2E)-1-bromo-1,1-difluorohept-2-ene;1-Bromo-1,1-difluoro-2-heptene (E/Z);DTXSID00420668;LQSFBLRBYQAEKS-AATRIKPKSA-N;1,1-Difluoro-1-bromo-2-heptene;MFCD00153694;AKOS016015265;AKOS025310196;(E)-1-bromo-1,1-difluoro-2-heptene;(E)-1-bromo-1,1-difluoro-hept-2-ene;A818333

Chemical Property of 1-Bromo-1,1-difluoro-2-heptene

Chemical Property:

• Vapor Pressure: 1.55mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 175.4 °C at 760 mmHg
• Flash Point: 59.9 °C
• PSA: 0.00000
• Density: 1.316 g/cm³
• LogP: 3.72050
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.00122
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

(E/Z)-1-Bromo-1,1-difluorohept-2-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CC(F)(F)Br
• Isomeric SMILES: CCCC/C=C/C(F)(F)Br

Technology Process of 1-Bromo-1,1-difluoro-2-heptene

There total 4 articles about 1-Bromo-1,1-difluoro-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:

1,3-dibromo-1,1-difluoroheptane (122093-60-1) → (Z)-1-bromo-1,1-difluorohept-2-ene (262296-38-8) + (E)-1-bromo-1,1-difluorohept-2-ene (262296-38-8)

Guidance literature:

With triethylamine; for 28h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0022-1139(93)03051-M

Reference yield:

1,3-dibromo-1,1-difluoroheptane (122093-60-1) → (Z)-1-bromo-1,1-difluorohept-2-ene (262296-38-8) + (E)-1-bromo-1,1-difluorohept-2-ene (262296-38-8)

Guidance literature:

With triethylamine; for 28h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0022-1139(93)03051-M

Reference yield:

1-hexene (592-41-6,25067-06-5) → (Z)-1-bromo-1,1-difluorohept-2-ene (262296-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / CrCl₃*6H₂O, Fe / ethanol / 12 h / 60 - 70 °C

2: KF/Al₂O₃ / dimethylformamide / 4 h / 40 - 50 °C

With aluminum oxide; chromium chloride; potassium fluoride; iron; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/0022-1139(93)03051-M

upstream raw materials:

1,3-dibromo-1,1-difluoroheptane

1-hexene

Refernces

• 1、 Hu, Chang-Ming,Chen, Jian. "Synthesis of bromodifluoromethyl-substituted alkenes. Potassium fluoride supported on alumina as a dehydrobrominating agent". . p. 25 - 26. Retrieved 2007/10/02.