Cyclopentanecarboxaldehyde - CAS 872-53-7

Catalog:	BB038360
Product Name:	Cyclopentanecarboxaldehyde
CAS:	872-53-7
Synonyms:	cyclopentanecarbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	cyclopentanecarbaldehyde
Description:	Cyclopentanecarboxaldehyde (CAS# 872-53-7) is a useful synthetic intermediate. It is used to synthesize diketopiperazines as potent and selective oxytocin antagonists. It is also used to prepare dihydroquinazolinamines with antiinflammatory activities.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	C1CCC(C1)C=O
InChI:	InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
InChI Key:	VELDYOPRLMJFIK-UHFFFAOYSA-N
Boiling Point:	140-141 ℃
Density:	0.919 g/cm³
MDL:	MFCD00060798
LogP:	1.37550

Publication Number	Title	Priority Date
CN-113214282-A	AChE/BACE1/GSK3 beta three-target inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease	20210527
CN-112759560-A	Benzothiazine-4-ketone compound containing N-aminopiperazine segment and preparation method thereof	20210114
CN-112239432-A	Preparation method of chiral 3, 4-dihydrobenzothiadiazine compound	20201112
CN-111518166-A	Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20200520
WO-2021208963-A1	Bcl-2 inhibitor	20200415

PMID	Publication Date	Title	Journal
21964353	20111201	Life cycle stage-resolved proteomic analysis of the excretome/secretome from Strongyloides ratti--identification of stage-specific proteases	Molecular & cellular proteomics : MCP
21978949	20111101	3,4-Disubstituted oxazolidin-2-ones as constrained ceramide analogs with anticancer activities	Bioorganic & medicinal chemistry
18821258	20081001	Synthesis and biological evaluation of new donepezil-like Thiaindanones as AChE inhibitors	Journal of enzyme inhibition and medicinal chemistry
16833864	20050616	Atmospheric chemistry of C3-C6 cycloalkanecarbaldehydes	The journal of physical chemistry. A
11983517	20020701	4-Phenylbutanoyl-2(S)-acylpyrrolidines and 4-phenylbutanoyl-L-prolyl-2(S)-acylpyrrolidines as prolyl oligopeptidase inhibitors	Bioorganic & medicinal chemistry

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MG-132

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	62.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.073164938
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3