2-(3-(4-Methylbenzoyl)phenyl)propanenitrile - CAS 139093-77-9
Catalog: |
BB063747 |
Product Name: |
2-(3-(4-Methylbenzoyl)phenyl)propanenitrile |
CAS: |
139093-77-9 |
Synonyms: |
α-Methyl-3-(4-methylbenzoyl)-benzeneacetonitrile |
IUPAC Name: | 2-[3-(4-methylbenzoyl)phenyl]propanenitrile |
Description: | 2-(3-(4-Methylbenzoyl)phenyl)propanenitrile is an intermediate in the synthesis of rac-4'-Methyl Ketoprofen (M315080), an impurity of Ketoprofen (K200800). |
Molecular Weight: | 249.31 |
Molecular Formula: | C17H15NO |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C(C)C#N |
InChI: | InChI=1S/C17H15NO/c1-12-6-8-14(9-7-12)17(19)16-5-3-4-15(10-16)13(2)11-18/h3-10,13H,1-2H3 |
InChI Key: | CFNNQKPYSKQZSN-UHFFFAOYSA-N |
Solubility: | Chloroform; Toluene; Dichloromethane; Diethyl Ether |
Appearance: | Pale OIl |
References: | Pietta, P. et al. J. Chrom., 387, 525 (1987); Ueno, K., et al. J. Med. Chem., 19, 941 (1976); Liversidge, G.G., Anal. Profiles Drug Subs., 10, 443 (1981). |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.115364102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB061033
((2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069928
((2S,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB067784
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine
Detail
-
Catalog: BB074488
((1R,3R)-3-Amino-cyclopentyl)-carbamic Acid tert-Butyl Ester
Detail
-
Catalog: BB069926
((2R,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[16208-48-3]
Ethanesulfonic acid, 2,2'-trithiodi-, disodium salt
-
[471915-89-6]
N-(3,4-Dihydroxyphenethyl)methacrylamide
-
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
-
[120739-62-0]
N-[(6-Chloropyridin-3-yl)methyl]-N-methylamine
-
[10128-55-9]
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
INDUSTRY LEADERS TRUST OUR PRODUCTS