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CAS Number: 77-17-8
ethyl 4-phenylpiperidine-4-carboxylate

Structure

ethyl 4-phenylpiperidine-4-carboxylate
Name: ethyl 4-phenylpiperidine-4-carboxylate
Synonyms:
General Information
Product Number: 77178
CAS Registry Number: 77-17-8
Name:
        4-​Piperidinecarboxylic acid, 4-​phenyl-​, ethyl ester
        Isonipecotic acid, 4-​phenyl-​, ethyl ester (6CI,​7CI,​8CI); 4-​(Ethoxycarbonyl)​-​4-​phenylpiperidine; 4-​Carbethoxy-​4-​phenylpiperidine; 4-​Phenyl-​4-​carbethoxypiperidine; 4-​Phenylpiperidine-​4-​carboxylic acid ethyl ester; Ethyl 4-​phenylisonipecotate; Ethyl 4-​phenylpiperidine-​4-​carboxylate; N-​Desmethylmeperidine; NSC 23821; Nordolsin; Normeperidine; Norpethidine 
 
Chemical Formula: C14H19NO2
Exact Mass: 233.14
Molecular Weight: 233.31
m/z: 233.14 (100.0%), 234.14 (15.5%), 235.15 (1.5%)
Elemental Analysis: C, 72.07; H, 8.21; N, 6.00; O, 13.72
 
InChI: InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKey: QKHMFBKXTNQCTM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1(CCNCC1)C2=CC=CC=C2
 
Thermal Properties Value Condition Note
Boiling Point 155 °C Press: 3.5 Torr (1)CAS
Boiling Point 154-155 °C Press: 3 Torr (2)CAS
Boiling Point 140 °C Press: 0.5 Torr (3)CAS
Boiling Point 130-132 °C Press: 0.8 Torr (4)IC
Melting Point 174-176 °C   (9)CAS

Specification

98%

References
  1. (1) Eisleb, Otto; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P1433-50 CAPLUS
  2. (2) Kwartler, Charles E.; Journal of the American Chemical Society 1947, V69, P2582-6 CAPLUS
  3. (3) Protiva, M.; Collection of Czechoslovak Chemical Communications 1963, V28, P2627-36 CAPLUS
  4. (4) Aboul-Enein, M. N.; Scientia Pharmaceutica 1988, V56(3), P207-10 CAPLUS
  5. (5) BIORAD: Portions provided by AAFS, Toxicology Section. Copyright Bio-Rad Laboratories. All Rights Reserved.
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Liu, Hsiu-Chuan; Rapid Communications in Mass Spectrometry 2010, V24(1), P75-84 CAPLUS
  8. (8) Vonaparti, A.; Rapid Communications in Mass Spectrometry 2010, V24(11), P1595-1609 CAPLUS
  9. (9) Hydro, William R.; US 3551433 A 1970 CAPLUS
  10. (10) Jilek, Jiri O.; Collection of Czechoslovak Chemical Communications 1967, V32, P1285-8 CAPLUS
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