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CAS Number: 775-15-5
1-benzylpyrrolidin-3-ol

Structure

1-benzylpyrrolidin-3-ol
Name: 1-benzylpyrrolidin-3-ol
Synonyms:
General Information
Product Number: 775155

CAS Registry Number: 775-15-5

Name:

3-​Pyrrolidinol, 1-​(phenylmethyl)​-
3-​Pyrrolidinol, 1-​benzyl- (6CI,​7CI,​8CI); (RS)​-​N-​Benzyl-​3-​pyrrolidinol; (±)​-​1-​Benzyl-​3-​hydroxypyrrolidine; 1-​(Phenylmethyl)​-​3-​pyrrolidinol; 1-​Benzyl-​3-​hydroxypyrrolidine; 1-​Benzyl-​3-​pyrrolidinol; N-​Benzyl-​3-​hydroxypyrrolidine; N-​Benzyl-​3-​pyrrolidinol 

Deleted CAS Registry Numbers: 101979-​03-​7

 

Chemical Formula: C11H15NO
Exact Mass: 177.12
Molecular Weight: 177.24
m/z: 177.12 (100.0%), 178.12 (12.1%)
Elemental Analysis: C, 74.54; H, 8.53; N, 7.90; O, 9.03

 

InChI: InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey: YQMXOIAIYXXXEE-UHFFFAOYSA-N
Canonical SMILES : C1CN(CC1O)CC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Boiling Point 143 °C Press: 14 Torr (1)CAS
Boiling Point 138-141 °C Press: 6.5 Torr (2)CAS
Boiling Point 119-120 °C Press: 0.7 Torr (3)CAS
Boiling Point 113-115 °C Press: 2 Torr (4)CAS
Boiling Point 99-100 °C Press: 1.6 Torr (5)IC
Melting Point See full text   (9)IC

 

Specification

98%

References
  1. (1) Lukes, R.; Collection of Czechoslovak Chemical Communications 1962, V27, P1387-92 CAPLUS
  2. (2) Arbuzov, Yu. A.; Doklady Akademii Nauk SSSR 1957, V117, P813-16 CAPLUS
  3. (3) Cavalla, John F.; GB 831934 1960 CAPLUS
  4. (4) Southwick, Philip L.; Journal of Organic Chemistry 1956, V21, P1087-95 CAPLUS
  5. (5) Bowers Nemia, Margaret M.; Synthetic Communications 1983, V13(13), P1117-23 CAPLUS
  6. (6) Zheng, Jin-Li; Tetrahedron: Asymmetry 2011, V22(3), P257-263 CAPLUS
  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  8. (8) Kocalka, Petr; Tetrahedron 2006, V62(24), P5763-5774 CAPLUS
  9. (9) Tamazawa, Kazuharu; JP 61063652 A 1986 CAPLUS
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