3-Chlorocyclohept-1-ene

Base Information

• Chemical Name: 3-Chlorocyclohept-1-ene
• CAS No.: 35021-99-9
• Molecular Formula: C7H11Cl
• Molecular Weight: 130.617
• European Community (EC) Number: 966-099-6
• DSSTox Substance ID: DTXSID50551052
• Mol file: 35021-99-9.mol

Synonyms:3-chlorocyclohept-1-ene;3-chlorocycloheptene;35021-99-9;Cycloheptene, 3-chloro-;SCHEMBL11278954;DTXSID50551052;EN300-7596084

Chemical Property of 3-Chlorocyclohept-1-ene

Chemical Property:

• PSA: 0.00000
• LogP: 2.72400
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 130.0549280
• Heavy Atom Count: 8
• Complexity: 86.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C=CC1)Cl

Technology Process of 3-Chlorocyclohept-1-ene

There total 1 articles about 3-Chlorocyclohept-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:

C13H17Cl3Se (109391-82-4) → cyclohept-2-enylchloride (35021-99-9) + 1-chlorocycloheptene (13294-30-9)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00227a026

Reference yield: 95.0%

(C5H5)2ZrCl(CH2)4C6H5 (145247-29-6) + cyclohept-2-enylchloride (35021-99-9) → (S)-3-(4-phenylbutyl)cyclohept-1-ene

Guidance literature:

With chloro-trimethyl-silane; 2C₃₂H₂₈NO₂P*2Cu⁽¹⁺⁾*2I^(1-); In dichloromethane; chloroform; at 20 ℃; enantioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b02440

Reference yield: 62.0%

cyclohept-2-enylchloride (35021-99-9) + phenylboronic acid (98-80-6) → (-)-(S)-cyclohept-2-enylbenzene

Guidance literature:

With [Rh(OH)(cod)]2; 2,2',6,6'-tetramethoxy-4,4'-bis(di(3,5-dimethylphenyl)phosphino)-3,3'-bipyridine; caesium carbonate; In tetrahydrofuran; at 60 ℃; for 1h; enantioselective reaction;

DOI:10.1038/nchem.2360

upstream raw materials:

C₁₃H₁₇Cl₃Se

Downstream raw materials:

(2-cyclohepten-1-yloxy)benzene

cyclohept-2-enyltriphenylstannane