1-Phenylcyclopentanecarbaldehyde

Base Information

• Chemical Name: 1-Phenylcyclopentanecarbaldehyde
• CAS No.: 21573-69-3
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID40454967
• Nikkaji Number: J83.083F
• Wikidata: Q72501568
• Mol file: 21573-69-3.mol

Synonyms:1-phenylcyclopentanecarbaldehyde;21573-69-3;1-phenylcyclopentane-1-carbaldehyde;1-Phenylcyclopentanecarboxaldehyde;Cyclopentanecarboxaldehyde, 1-phenyl-;1-Phenyl-cyclopentanecarbaldehyde;SCHEMBL1152247;DTXSID40454967;KZCVVVIPPHGCOH-UHFFFAOYSA-N;1-Phenylcyclopentane Carboxaldehyde;WAA57369;1-phenyl-1-cyclopentanecarboxaldehyde;1-phenyl-cyclopentane-1-carbaldehyde;MFCD11040233;AKOS006307809;AS-38280;CS-0156492;FT-0651315;A898386;A1-01284

Chemical Property of 1-Phenylcyclopentanecarbaldehyde

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 134℃ (15 Torr)
• Flash Point: 95.9±14.0℃
• PSA: 17.07000
• Density: 1.103±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.69730
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

1-Phenylcyclopentanecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C=O)C2=CC=CC=C2

Technology Process of 1-Phenylcyclopentanecarbaldehyde

There total 27 articles about 1-Phenylcyclopentanecarbaldehyde 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: 98.0%

1-phenylcyclohexene oxide (5775-23-5,17540-04-4,122210-64-4,4829-01-0) → 1-phenyl-1-cyclopentanecarboxaldehyde (21573-69-3)

Guidance literature:

methylaluminium bis(4-bromo-2,6-di-tert.-butylphenoxide); In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1016/S0040-4039(01)93811-0

Reference yield: 91.0%

1-hydroxymethyl-1-phenylcyclopentane (59115-90-1) → 1-phenyl-1-cyclopentanecarboxaldehyde (21573-69-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 89.63%

1-phenyl-1-cyclopentanecarbonitrile (77-57-6) → 1-phenyl-1-cyclopentanecarboxaldehyde (21573-69-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -78 ℃; for 2h;

upstream raw materials:

1-phenylcyclohexene oxide

(E)-3-Ureido-but-2-enoic acid ethyl ester

1-phenyl-1-cyclopentanecarbonitrile

1-phenylcyclopentanecarboxylic acid chloride

Downstream raw materials:

1-phenyl-cyclopentanecarbaldehyde-(2,4-dinitro-phenylhydrazone)

1-hydroxymethyl-1-phenylcyclopentane

β-phenyl-β,β-tetramethylenepropionitrile

1-(1-phenyl-cyclopentyl)-ethanol

Refernces

• 1、 Maruoka, Keiji,Nagahara, Shigeru,Ooi, Takashi,Yamamoto, Hisashi. "An Efficient, Catalytic Procedure for Epoxide Rearrangement". . p. 5607 - 5610. Retrieved 1989.
• 2、 Wu, Hao,Liu, Yu,He, Ming-Xing,Wen, Hao,Cao, Wei,Chen, Ping,Tang, Yu. "Preparation of isoquinazolines: Via metal-free [4 + 2] cycloaddition of ynamides with nitriles". . p. 8408 - 8416. Retrieved 2019/09/30.
• 3、 Jeedimalla, Nagalakshmi,Jacquet, Camille,Bahneva, Diana,Youte Tendoung, Jean-Jacques,Roche, Stéphane P.. "Synthesis of α-Arylated Cycloalkanones from Congested Trisubstituted Spiro-epoxides: Application of the House-Meinwald Rearrangement for Ring Expansion". supporting information. p. 12357 - 12373. Retrieved 2018/09/06.