Chlorocycloheptane

Base Information

• Chemical Name: Chlorocycloheptane
• CAS No.: 2453-46-5
• Molecular Formula: C7H13 Cl
• Molecular Weight: 132.633
• European Community (EC) Number: 219-522-7
• NSC Number: 75844
• UNII: 9DGZ35VX23
• DSSTox Substance ID: DTXSID70179277
• Nikkaji Number: J132.957J
• Wikidata: Q83049785
• Mol file: 2453-46-5.mol

Synonyms:Chlorocycloheptane;2453-46-5;Cycloheptyl chloride;Cycloheptane, chloro-;chloro-cycloheptane;C7H13Cl;9DGZ35VX23;EINECS 219-522-7;NSC-75844;NSC75844;4-chlorocycloheptane;CHLOROCYCLO HEPTANE;UNII-9DGZ35VX23;SCHEMBL1710981;DTXSID70179277;CAA45346;MFCD00046501;NSC 75844;AKOS009158147;BS-16740;CS-0155300;FT-0624175;D81846;A928448

Chemical Property of Chlorocycloheptane

Chemical Property:

• Vapor Pressure: 1.45mmHg at 25°C
• Refractive Index: 1.4730-1.4770
• Boiling Point: 176.8°Cat760mmHg
• Flash Point: 47.9°C
• Density: 0.96g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 132.0705781
• Heavy Atom Count: 8
• Complexity: 53.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlorocycloheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)Cl
• Uses: Chlorocycloheptane is used as a reactant in the alkylation of aromatic imines.

Technology Process of Chlorocycloheptane

There total 8 articles about Chlorocycloheptane 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: 93.0%

cycloheptane (291-64-5) → cycloheptyl chloride (2453-46-5)

Guidance literature:

With hydrogenchloride; tetrabutyl-ammonium chloride; sodium chloride; In water; at 20 ℃; for 7h;

Reference yield: 81.0%

Cycloheptene (628-92-2,45509-99-7) → cycloheptyl chloride (2453-46-5)

Guidance literature:

With thionyl chloride; silica gel; Product distribution; other alkenes; other reagents;

DOI:10.1021/ja00176a075

Reference yield: 77.0%

cycloheptyl 4-methylbenzenesulfonate (957-29-9) → cycloheptyl chloride (2453-46-5)

Guidance literature:

With 1-butyl-3-methylimidazolium chloride; at 60 ℃; for 8h; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

upstream raw materials:

N-chloro-succinimide

cycloheptane

cycloheptanol

Cycloheptene

Downstream raw materials:

phenylcycloheptane

cycloheptanecarboxaldehyde

cycloheptanecarbonitrile

(4-methylphenyl)cycloheptane

Refernces

• 1、 Liu, Shouxin,Zhang, Qi,Tian, Xia,Fan, Shiming,Huang, Jing,Whiting, Andrew. "Highly selective halogenation of unactivated C(sp3)-H with NaX under co-catalysis of visible light and Ag@AgX". . p. 4729 - 4737. Retrieved 2018/10/23.
• 2、 Ratani, Tanvi S.,Bachman, Shoshana,Fu, Gregory C.,Peters, Jonas C.. "Photoinduced, Copper-Catalyzed Carbon-Carbon Bond Formation with Alkyl Electrophiles: Cyanation of Unactivated Secondary Alkyl Chlorides at Room Temperature". supporting information. p. 13902 - 13907. Retrieved 2016/01/15.