5-Chloropentyl benzoate

Base Information

• Chemical Name: 5-Chloropentyl benzoate
• CAS No.: 55092-47-2
• Molecular Formula: C12H15ClO2
• Molecular Weight: 226.703
• Hs Code.: 2916310090
• European Community (EC) Number: 654-388-7
• NSC Number: 165614
• DSSTox Substance ID: DTXSID40203614
• Nikkaji Number: J949.906G
• Wikidata: Q72456326
• Mol file: 55092-47-2.mol

Synonyms:5-Chloropentyl benzoate;55092-47-2;1-benzoyloxy-5-chloropentane;NSC165614;epsilon-chloropentyl benzoate;SCHEMBL11741530;DTXSID40203614;XIOZPPYPTAEPGJ-UHFFFAOYSA-N;MFCD00013695;AKOS015839018;NSC 165614;NSC-165614;FT-0607384;ETHYL2-ACETYL-3-(2-NITROPHENYL)PROPENOATE

Chemical Property of 5-Chloropentyl benzoate

Chemical Property:

• Vapor Pressure: 0.000327mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 320 °C at 760 mmHg
• Flash Point: 156.4 °C
• PSA: 26.30000
• Density: 1.107 g/cm³
• LogP: 3.25250
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 226.0760574
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

5-ChloropentylBenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCCCCCl

Technology Process of 5-Chloropentyl benzoate

There total 4 articles about 5-Chloropentyl benzoate 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: 92.6%

TETRAHYDROPYRANE (142-68-7) + benzoyl chloride (98-88-4) → ε-chloropentyl benzoate (55092-47-2)

Guidance literature:

With palladium diacetate; at 100 ℃; for 2h; Microwave irradiation;

DOI:10.1016/j.tetlet.2017.10.080

Reference yield: 83.0%

1,5-dichloropentane (628-76-2) + dibenzoyl peroxide (94-36-0) → ε-chloropentyl benzoate (55092-47-2)

Guidance literature:

With 1,10-Phenanthroline; oxygen; copper diacetate; sodium t-butanolate; In dimethyl sulfoxide; at 80 ℃; for 24h;

DOI:10.1016/j.tet.2013.11.085

Reference yield: 8.0%

TETRAHYDROPYRANE (142-68-7) + benzoyl chloride (98-88-4) → ε-chloropentyl benzoate (55092-47-2) + benzil (134-81-6)

Guidance literature:

CoCl₂; In acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4020(01)96041-7

upstream raw materials:

TETRAHYDROPYRANE

benzoyl chloride

1,5-dichloropentane

dibenzoyl peroxide

Downstream raw materials:

1-(5-benzoyloxypentyl)thymine

1,3-bis(5-benzoyloxypentyl)thymine

ε-cyanopentyl benzoate

5-fluoro-1-pentanol

Refernces

• 1、 Fotie, Jean,Adolph, Brandy R.,Bhatt, Shreya V.,Grimm, Casey C.. "Palladium(II) acetate catalyzed acylative cleavage of cyclic and acyclic ethers under neat conditions". supporting information. p. 4648 - 4651. Retrieved 2017/11/15.
• 2、 Chen, Huan-Huan,Wang, Guang-Zu,Han, Jin,Xu, Meng-Yu,Zhao, Yong-Qiang,Xu, Hua-Jian. "Copper-catalyzed Csp3-O cross-coupling of unactivated alkyl halides with organic peroxides". . p. 212 - 217. Retrieved 2014/01/06.