Cyclopropyl phenyl ketone - CAS 3481-02-5

Name: Cyclopropyl phenyl ketone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022298
Product Name:	Cyclopropyl phenyl ketone
CAS:	3481-02-5
Synonyms:	cyclopropyl(phenyl)methanone

Technical Data

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Computed Properties

IUPAC Name:	cyclopropyl(phenyl)methanone
Description:	Cyclopropyl phenyl ketone (CAS# 3481-02-5) is used in preparation of Isoquinolines via photo-catalyzed CAScade Trifluoroethylation-Cyclization of cis and trans Vinyl Isocyanides with Trifluoroethyl Iodide.
Molecular Weight:	146.19
Molecular Formula:	C10H10O
Canonical SMILES:	C1CC1C(=O)C2=CC=CC=C2
InChI:	InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:	PJRHFTYXYCVOSJ-UHFFFAOYSA-N
Boiling Point:	121-123 °C (15 mmHg)
Density:	1.058 g/cm³
Appearance:	Colorless or pale yellow liquid
MDL:	MFCD00001294
LogP:	2.27930

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[328270-02-6]C11H16N2OS
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112110801-A	Method for synthesizing gamma-aryl substituted ketone compound	20201009
CN-113061069-A	Method for oxidative cleavage of compounds containing unsaturated double bonds	20200102
US-2021206702-A1	Method for oxidative cleavage of compounds with unsaturated double bond	20200102
CN-111056890-A	Method for preparing aryl ketone by free radical-free radical coupling reaction of ketoacid decarboxylation and fatty aldehyde decarbonylation based on iron catalysis	20191125
CN-110627610-A	Method for synthesizing alkyne by catalyzing asymmetric cross coupling	20190829

PMID	Publication Date	Title	Journal
19718721	20091005	Synthesis and reactivity of six-membered oxa-nickelacycles: a ring-opening reaction of cyclopropyl ketones	Chemistry (Weinheim an der Bergstrasse, Germany)
16620100	20060426	Formation of nickeladihydropyran by oxidative addition of cyclopropyl ketone. Key intermediate in nickel-catalyzed cycloaddition	Journal of the American Chemical Society
16599615	20060414	Oxygen acidity of ring methoxylated 1,1-diarylalkanol radical cations bearing alpha-cyclopropyl groups. The competition between O-neophyl shift and C-cyclopropyl beta-scission in the intermediate 1,1-diarylalkoxyl radicals	The Journal of organic chemistry
16095301	20050819	Structural effects on the beta-scission reaction of tertiary arylcarbinyloxyl radicals. The role of alpha-cyclopropyl and alpha-cyclobutyl groups	The Journal of organic chemistry

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.073164938
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1