7-Chlorohept-1-ene

Base Information

• Chemical Name: 7-Chlorohept-1-ene
• CAS No.: 929-21-5
• Molecular Formula: C7H13 Cl
• Molecular Weight: 132.63
• Hs Code.: 2903299090
• European Community (EC) Number: 807-608-2
• DSSTox Substance ID: DTXSID90513876
• Nikkaji Number: J1.167.285J
• Wikidata: Q72451662
• Mol file: 929-21-5.mol

Synonyms:7-Chlorohept-1-ene;7-chloro-1-heptene;929-21-5;MFCD00671826;1-chlorohept-6-ene;SCHEMBL2836771;DTXSID90513876;AKOS006384872;AM85971;FT-0687527;A22092;EN300-674267;I11994;F0001-2234

Chemical Property of 7-Chlorohept-1-ene

Chemical Property:

• Vapor Pressure: 3.19mmHg at 25°C
• Refractive Index: 1.432
• Boiling Point: 159.8°Cat760mmHg
• Flash Point: 45.3°C
• PSA: 0.00000
• Density: 0.88g/cm³
• LogP: 2.97160
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 132.0705781
• Heavy Atom Count: 8
• Complexity: 50.3

Purity/Quality:

99%, ^*data from raw suppliers

7-Chloro-1-heptene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCl
• Uses: 7-Chloro-1-heptene is used in preparation of amphiphilic silicon-based functional polymer for marine biofouling products.

Technology Process of 7-Chlorohept-1-ene

There total 5 articles about 7-Chlorohept-1-ene 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: 76.0%

chloroethylene (75-01-4,9002-86-2) + 1-bromo-5-chloropentane (54512-75-3) → 7-chloro-1-heptene (929-21-5)

Guidance literature:

1-bromo-5-chloropentane; With magnesium; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

chloroethylene; With iron(III) chloride; In tetrahydrofuran; at 0 ℃; for 3h; Temperature; Inert atmosphere;

Reference yield:

4-chlorobutyl bromide (6940-78-9) + allylmagnesium bromide (1730-25-2) → 7-chloro-1-heptene (929-21-5)

Guidance literature:

With lithium chloride; copper dichloride; In tetrahydrofuran; at 0 ℃; for 2.5h;

DOI:10.1021/op0601924

Reference yield:

4-chlorobutyl bromide (6940-78-9) + allyl bromide (106-95-6) → 7-chloro-1-heptene (929-21-5)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; at -20 ℃;

DOI:10.1007/BF00963674

upstream raw materials:

6-hepten-1-ol

4-chlorobutylmagnesium bromide

allyl bromide

4-chlorobutyl bromide

Downstream raw materials:

(S)-2-cyclopentyloxycarbonyl-amino-8-nonenoic acid

(R)-2-acetamido-8-nonenoic acid

(±)-2-acetamido-8-nonenoic acid

Refernces

• 1、 Wang, Xiao-Jun,Zhang, Li,Smith-Keenan, Lana L.,Houpis, Ioannis N.,Farina, Vittorio. "Efficient synthesis of (S)-2-(cyclopentyloxycarbonyl)-amino-8-nonenoic acid: Key building block for BILN 2061, an HCV NS3 protease inhibitor". . p. 60 - 63. Retrieved 2012/12/26.