2-Chloro-1-heptene

Base Information

• Chemical Name: 2-Chloro-1-heptene
• CAS No.: 65786-11-0
• Molecular Formula: C₇H₁₃Cl
• Molecular Weight: 132.633
• DSSTox Substance ID: DTXSID50555777
• Nikkaji Number: J2.442.787K
• Wikidata: Q82437188
• Mol file: 65786-11-0.mol

Synonyms:2-chloro-1-heptene;2-Chlorohept-1-ene;65786-11-0;2-chloro-hept-1-ene;MFCD00671865;SCHEMBL7634467;DTXSID50555777;AKOS016016632

Chemical Property of 2-Chloro-1-heptene

Chemical Property:

• Vapor Pressure: 7.33mmHg at 25°C
• Refractive Index: 1.4349
• Boiling Point: 141.4oC at 760 mmHg
• Flash Point: 35.1oC
• PSA: 0.00000
• Density: 0.882g/cm3
• LogP: 3.31920
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 132.0705781
• Heavy Atom Count: 8
• Complexity: 66.8

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=C)Cl

Technology Process of 2-Chloro-1-heptene

There total 9 articles about 2-Chloro-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:

n-pentyl methyl ketone (110-43-0) → 2-Chloro-1-heptene (65786-11-0)

Guidance literature:

n-pentyl methyl ketone; With benzoyl chloride; scandium tris(trifluoromethanesulfonate); In ethyl acetate; for 0.166667h; Heating;

With bis(trichloromethyl) carbonate; N,N-dimethyl-formamide; In ethyl acetate; for 24h; Heating;

DOI:10.1021/ol062991c

Reference yield:

n-pentyl methyl ketone (110-43-0) → 2,2-Dichloroheptane (65786-09-6) + 2-Chloro-1-heptene (65786-11-0)

Guidance literature:

With phosphorus pentachloride; benzene;

DOI:10.1021/ja01327a061

Reference yield:

n-pentyl methyl ketone (110-43-0) → 2,2-Dichloroheptane (65786-09-6) + 2-Chloro-1-heptene (65786-11-0) + (Z)-2-Chloro-2-heptene (67804-45-9) + (E)-2-Chloro-2-heptene (67804-46-0)

Guidance literature:

With phosgene; Triphenylphosphine oxide; at 100 - 125 ℃; for 7h;

upstream raw materials:

n-pentyl methyl ketone

2,3-Dichloroprop-1-ene

1-Heptyne

phosphorus pentachloride

Downstream raw materials:

2-Methylene-1-phenyl-heptan-1-one

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