(Iodomethyl)cyclopentane

Base Information

• Chemical Name: (Iodomethyl)cyclopentane
• CAS No.: 27935-87-1
• Molecular Formula: C6H11I
• Molecular Weight: 210.058
• Hs Code.: 29035980
• European Community (EC) Number: 681-738-6
• DSSTox Substance ID: DTXSID80376290
• Nikkaji Number: J337.653B
• Wikidata: Q72483910
• Mol file: 27935-87-1.mol

Synonyms:(iodomethyl)cyclopentane;Iodomethylcyclopentane;27935-87-1;Cyclopentane, (iodomethyl)-;(Iodomethyl)cyclopentane contains copper as stabilizer;Cyclopentylmethyl iodide;Cyclopentanemethyl iodide;cyclopentyliodomethane;MFCD03453190;Cyclopentylmethyliodide;iodomethyl cyclopentane;iodomethyl-cyclopentane;cyclopentyl methyl iodide;(1-iodomethyl)cyclopentane;SCHEMBL68223;DTXSID80376290;DUMSKQUKLVSSII-UHFFFAOYSA-N;CBA93587;AKOS005215870;AB15507;AS-36275;CS-0309298;FT-0604979;(Iodomethyl)cyclopentane Stabilized over copper;EN300-172420;J-502075;(Iodomethyl)cyclopentane, contains copper as stabilizer, 95%

Chemical Property of (Iodomethyl)cyclopentane

Chemical Property:

• Vapor Pressure: 0.746mmHg at 25°C
• Refractive Index: 1.54-1.544
• Boiling Point: 190.6 °C at 760 mmHg
• Flash Point: 76.7 °C
• PSA: 0.00000
• Density: 1.633 g/cm³
• LogP: 2.61160
• Sensitive.: Light Sensitive
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 209.99055
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98%Min ^*data from raw suppliers

(Iodomethyl)cyclopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36-65-53-41-37/38-25
• Safety Statements: 37/39-26-62-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)CI

Technology Process of (Iodomethyl)cyclopentane

There total 2 articles about (Iodomethyl)cyclopentane 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: 72.0%

6-iodohex-1-ene (18922-04-8) → cyclopentylmethyl Iodide (27935-87-1) + methyl-cyclopentane (96-37-7) + Cyclohexyl iodide (626-62-0)

Guidance literature:

With bis(tri-n-butyltin); In benzene; at 75 - 85 ℃; for 0.5h; Irradiation;

DOI:10.1016/S0040-4039(00)85336-8

Reference yield: 60.0%

6-iodohex-1-ene (18922-04-8) → cyclopentylmethyl Iodide (27935-87-1) + methylenecyclopentane (1528-30-9) + methyl-cyclopentane (96-37-7)

Guidance literature:

With methyllithium; In diethyl ether; at 22 ℃; for 21h; Product distribution; Mechanism; other reagen PhLi; other solvent pentane-ether;

DOI:10.1021/jo971939e

Reference yield: 89.0%

(3-trifluoromethylsulfanyl-phenyl)acetic acid methyl ester + cyclopentylmethyl Iodide (27935-87-1) → 3-cyclopentyl-2-(3-trifluoromethylsulfanyl-phenyl)propionic acid methyl ester

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran;

upstream raw materials:

6-iodohex-1-ene

Downstream raw materials:

2-cyclopentylacetic acid

methyl 4-{[2-[(cyclopentylmethyl)(phenylsulfonyl)amino]-5-(trifluoromethyl)phenoxy]methyl}benzoate

3-cyclopentyl-N-(2(R)-hydroxy-1(R)-methyl-2(R)-phenyl-ethyl)-N-methyl-2(R)-(3-trifluoromethyl-phenyl)-propionamide

3-cyclopentyl-N-[2(R)-hydroxy-1(R)-methyl-2(R)-phenyl-ethyl]-N-methyl-2(R)-(4-methylsulfanyl-phenyl)-propionamide

Refernces

• 1、 Bailey, William F.,Carson, Matthew W.. "Lithium-Iodine Exchange Mediated Atom Transfer Cyclization: Catalytic Cycloisomerization of 6-Iodo-1-hexenes". . p. 361 - 365. Retrieved 2007/10/03.