2-Benzoylpyrrole

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Names

[ CAS No. ]:
7697-46-3

[ Name ]:
2-Benzoylpyrrole

[Synonym ]:
phenyl-pyrrol-2-yl-methanone
Pyrrol-2-yl Phenyl Ketone
2-Benzoylpyrroline
2-Benzoyl-1H-pyrrole
Phenyl-pyrrol-2-yl-keton

Chemical & Physical Properties

[ Density]:
1.173 g/cm3

[ Boiling Point ]:
305.7ºC at 760 mmHg

[ Melting Point ]:
75-77ºC

[ Molecular Formula ]:
C11H9NO

[ Molecular Weight ]:
171.19500

[ Flash Point ]:
146.6ºC

[ Exact Mass ]:
171.06800

[ PSA ]:
32.86000

[ LogP ]:
2.24570

[ Index of Refraction ]:
1.608

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB6407000
CHEMICAL NAME :
Ketone, phenyl pyrrol-2-yl
CAS REGISTRY NUMBER :
7697-46-3
BEILSTEIN REFERENCE NO. :
0120606
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H9-N-O
MOLECULAR WEIGHT :
171.21
WISWESSER LINE NOTATION :
T5MJ BVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
767 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pyrrole
  • 4-benzoylmorpholine
  • Benzoyl chloride
  • benzoic acid
  • 1N1&VR
  • N-(tert-butoxycarbonyl)pyrrol-2-yl phenyl ketone
  • 1-(Phenylsulfonyl)-2-benzoylpyrrole
  • 2-[2-(2-Phenyl-1,3-benzoxathiolyl)]pyrrole
  • 1-(2-phenylsulfinylethyl)-2-benzoylpyrrole

DownStream

  • 2,3-Dibromo-5-benzoylpyrrole
  • ethyl 2-(5-benzoyl-1H-pyrrol-2-yl)acetate
  • [1-(2-iodoethyl)pyrrol-2-yl]-phenylmethanone
  • tetraphenylporphyrin
  • Ketorolac
  • TRIETHYL (5-BENZOYLPYRROL-2-YL)METHANETRICARBOXYLATE
  • 2-benzyl-1H-pyrrole
  • (1-methyl-1H-pyrrol-2-yl)(phenyl)methanone
  • 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
  • [1-(2-CHLORO-ETHYL)-1H-PYRROL-2-YL]-PHENYL-METHANONE

Related Compounds

  • 5-Bromo-2-benzoylpyrrole
  • N-methyl-2-benzoylpyrrole
  • 5-chloro-2-benzoylpyrrole
  • 5-methylthio-2-benzoylpyrrole
  • 1-(2-iodoethyl)-2-benzoylpyrrole
  • N-(2-chloroethyl)-2-benzoylpyrrole
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • (1R,3S,5S,6R)-8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 2-Methoxytetracene
  • tert-Butyl-DL-alanine