Cyclopropanecarboxaldehyde - CAS 1489-69-6

Name: Cyclopropanecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010356
Product Name:	Cyclopropanecarboxaldehyde
CAS:	1489-69-6
Synonyms:	cyclopropanecarbaldehyde

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Computed Properties

IUPAC Name:	cyclopropanecarbaldehyde
Description:	Cyclopropanecarboxaldehyde (CAS# 1489-69-6) is a reagent in the preparation of N-alkylphenylalaninamides of pyridinylphenyl- and oxobipyridinylamines as human GPR 142 agonists for potential use as anti-diabetic agents and the cytochrome P 450 inhibition.
Molecular Weight:	70.09
Molecular Formula:	C4H6O
Canonical SMILES:	C1CC1C=O
InChI:	InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2
InChI Key:	JMYVMOUINOAAPA-UHFFFAOYSA-N
Boiling Point:	98-101 °C
Purity:	> 97.0 % (GC)
Density:	0.938 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00012261
LogP:	0.59530

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016272588-A1	Usp7 inhibitor compounds and methods of use	20150320
US-2016159774-A1	Heteroaryl compounds and uses thereof	20141205
US-2016120841-A1	Substituted chromanes and method of use	20141031
US-2016122331-A1	Substituted tetrahydropyrans and method of use	20141031
US-2016096834-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006

PMID	Publication Date	Title	Journal
21793579	20110831	Cyclopropylhydroxycarbene	Journal of the American Chemical Society
21741656	20110812	Steric effects on the enantiodiscrimination of diproline chiral stationary phases in the resolution of racemic compounds	Journal of chromatography. A
21431227	20110507	Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids	Organic & biomolecular chemistry
21395241	20110415	Cyclopropane-aldehyde annulations at quaternary donor sites: stereoselective access to highly substituted tetrahydrofurans	Organic letters
21253652	20110307	Chemo-, regio-, and diastereoselectivity preferences in the reaction of a sulfur ylide with a dienal and an enone	Organic & biomolecular chemistry

Complexity:	45.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	70.041864811
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	70.041864811
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2