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CAS Number: 1198-97-6
4-phenylpyrrolidin-2-one

Structure

4-phenylpyrrolidin-2-one
Name: 4-phenylpyrrolidin-2-one
Synonyms:
General Information
Product Number: 1198976

CAS Registry Number 1198-97-6
Name:
2-?Pyrrolidinone, 4-?phenyl-
4-Phenyl-2-pyrrolidinone
3-Phenyl-5-pyrrolidinone
4-Phenyl-2-pyrrolidone
β-Phenyl-γ-aminobutyric acid lactam

 

Chemical Formula: C10H11NO
Exact Mass: 161.08
Molecular Weight: 161.20
m/z: 161.08 (100.0%), 162.09 (11.0%)

 

InChI:InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)

InChI Key:HOJZEMQCQRPLQQ-UHFFFAOYSA-N

Canonical SMILES:C1C(CNC1=O)C2=CC=CC=C2

 

Thermal Properties Value Condition Note
Boiling Point 198-200 °C Press: 10 Torr (1)CAS
Boiling Point 178-182 °C Press: 2 Torr (2)CAS
Boiling Point 178-182 °C Press: 2 Torr (3)CAS
Boiling Point 174 °C Press: 0.4 Torr (4)IC
Melting Point 95 °C   (10)CAS
Melting Point 75-76 °C   (1)CAS
Melting Point 75 °C   (2)CAS

Specification

98%

References
  1. (1) Koelsch, C. F.; Journal of the American Chemical Society 1944, V66, P1883-4 CAPLUS
  2. (2) El'tsov, A. V.; Zhurnal Obshchei Khimii 1964, V34(10), P3344-51 CAPLUS
  3. (3) Chigarev, A. G.; Zhurnal Organicheskoi Khimii 1967, V3(1), P85-8 CAPLUS
  4. (4) Langlois, Michel; European Journal of Medicinal Chemistry 1978, V13(2), P161-9 CAPLUS
  5. (9) Sobocinska, Maria; Polish Journal of Chemistry 1979, V53(2), P435-46 CAPLUS
  6. (10) Siu, Jason; Organic & Biomolecular Chemistry 2005, V3(17), P3140-3160 CAPLUS
  7. (11) Glozman, O. M.; Khimiko-Farmatsevticheskii Zhurnal 1980, V14(11), P43-8 CAPLUS
  8. (12) Rasmussen, C. R.; Journal of Medicinal Chemistry 1978, V21(10), P1044-54 CAPLUS
  9. (13) Shipov, A. G.; SU 1502567 A1 1989 CAPLUS
  10. (14) Jackson, Joseph G.; Journal of the Chemical Society 1928, P1657-62 CAPLUS
  11. (15) Marivet, Michel C.; Journal of Medicinal Chemistry 1989, V32(7), P1450-7 CAPLUS
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