1-Phenylcyclopentane-1-carbonyl chloride

Base Information

• Chemical Name: 1-Phenylcyclopentane-1-carbonyl chloride
• CAS No.: 17380-62-0
• Molecular Formula: C12H13 Cl O
• Molecular Weight: 208.688
• Hs Code.: 2916399090
• European Community (EC) Number: 809-187-0
• DSSTox Substance ID: DTXSID20495313
• Nikkaji Number: J21.933I
• Mol file: 17380-62-0.mol

Synonyms:1-phenylcyclopentane-1-carbonyl chloride;17380-62-0;Cyclopentanecarbonyl chloride, 1-phenyl-;1-PHENYLCYCLOPENTANECARBONYL CHLORIDE;1-Phenyl-cyclopentanecarbonyl chloride;MFCD09903689;alpha-Phenylcyclopentanecarbonyl chloride;SCHEMBL6349290;DTXSID20495313;NOYKUYNVZHTPCI-UHFFFAOYSA-N;AKOS000114024;1-phenylcyclopentane-1-carbonylchloride;NS-02308;BB 0244177;EN300-141848

Chemical Property of 1-Phenylcyclopentane-1-carbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.91720
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0654927
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

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

1-Phenylcyclopentanecarbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)Cl
• Uses: 1-Phenyl-cyclopentanecarbonyl chloride was a useful reactant for the discovery and preparation of piperazinylquinoline derivatives as novel respiratory syncytial virus fusion inhibitors.

Technology Process of 1-Phenylcyclopentane-1-carbonyl chloride

There total 7 articles about 1-Phenylcyclopentane-1-carbonyl chloride 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:

1-phenyl-1-cyclopentanecarboxylic acid (77-55-4) → 1-phenylcyclopentanecarboxylic acid chloride (17380-62-0)

Guidance literature:

With thionyl chloride;

Reference yield:

1-phenyl-1-cyclopentanecarbonitrile (77-57-6) → 1-phenylcyclopentanecarboxylic acid chloride (17380-62-0)

Guidance literature:

Multistep reaction; (i) KOH, diethylene glycol, (ii) SOCl₂, benzene;

Reference yield:

phenylacetonitrile (140-29-4) → 1-phenylcyclopentanecarboxylic acid chloride (17380-62-0)

Guidance literature:

Multi-step reaction with 3 steps

1: liq. NH₃, NaNH₂

2: KOH / bis-(2-hydroxy-ethyl) ether

3: SOCl₂ / dimethylformamide

With potassium hydroxide; thionyl chloride; ammonia; sodium amide; In N,N-dimethyl-formamide; diethylene glycol;

upstream raw materials:

1-phenyl-1-cyclopentanecarboxylic acid

1-phenyl-1-cyclopentanecarbonitrile

phenylacetonitrile

benzeneacetic acid methyl ester

Downstream raw materials:

1-phenyl-cyclopentanecarboxylic acid-(3-piperidino-propyl ester)

C₁₉H₁₈N₂O

1-phenyl-cyclopentanecarboxylic acid-(2-piperidino-ethyl ester)

Refernces

• 1、 Ma, Yueyue,Lv, Jufeng,Liu, Chengyu,Yao, Xiantong,Yan, Guoming,Yu, Wei,Ye, Jinxing. "Electrochemical [4+2] Annulation-Rearrangement-Aromatization of Styrenes: Synthesis of Naphthalene Derivatives". supporting information. p. 6756 - 6760. Retrieved 2019/04/17.
• 2、 Saito, Yutaro,Segawa, Yasutomo,Itami, Kenichiro. "Para -C-H borylation of benzene derivatives by a bulky iridium catalyst". supporting information. p. 5193 - 5198. Retrieved 2015/05/05.