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CAS Number: 21557-09-5
1-(4-(pyrrolidin-1-yl)phenyl)ethanone

Structure

1-(4-(pyrrolidin-1-yl)phenyl)ethanone
Name: 1-(4-(pyrrolidin-1-yl)phenyl)ethanone
Synonyms:
General Information
Product Number: 21557095
CAS Registry Number:
21557-09-5
Name:
Ethanone, 1-​[4-​(1-​pyrrolidinyl)​phenyl]​-
Acetophenone, 4'-​(1-​pyrrolidinyl)​- (8CI); 4-​(Pyrrolidino)​phenyl methyl ketone; 4'-​Pyrrolidinoacetophen​one 
 
Chemical Formula: C12H15NO
Exact Mass: 189.12
Molecular Weight: 189.25
m/z: 189.12 (100.0%), 190.12 (13.2%), 191.12 (1.1%)
Elemental Analysis: C, 76.16; H, 7.99; N, 7.40; O, 8.45
 
InChI: InChI=1S/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey: WNRFELFKDNNURJ-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC=C(C=C1)N2CCCC2
 
Thermal Properties Value Condition Note
Melting Point 135-136 °C   (4)IC
Melting Point 135-136 °C   (5)IC
Melting Point 134-135 °C   (3)CAS
Melting Point 128.0-128.8 °C   (2)CAS
Melting Point 127-128 °C   (6)CAS
Melting Point 127-128 °C  

(1)CAS

 

Specification

98%

References
  1. (1) Herbivo, Cyril; Tetrahedron 2009, V65(10), P2079-2086 CAPLUS
  2. (2) Van Baelen, Gitte; Tetrahedron 2008, V64(23), P5604-5619 CAPLUS
  3. (3) Zhang, Hui; Journal of Organic Chemistry 2005, V70(13), P5164-5173 CAPLUS
  4. (4) Ibata, Toshikazu; Chemistry Letters 1987, (6), P1187-90 CAPLUS
  5. (5) Ibata, Toshikazu; Bulletin of the Chemical Society of Japan 1991, V64(1), P42-9 CAPLUS
  6. (6) Li, S. X.; Letters in Drug Design & Discovery 2008, V5(2), P127-133 CAPLUS
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