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CAS Number: 78090-00-3
(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

Structure

(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Name: (E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Synonyms:
General Information
Product Number: 78090003

CAS Registry Number 78090-00-3
Name:
2-​Propen-​1-​one, 3-​(dimethylamino)​-​1-​(4-​methoxyphenyl)​-​, (2E)​-
2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-, (E)-
(2E)-3-(Dimethylamino)-1-[4-(methoxy)phenyl]prop-2-en-1-one
(E)-3-(Dimethylamino)-1-(4-methoxyphenyl)-2-propen-1-one

 

Chemical Formula: C12H15NO2
Exact Mass: 205.11
Molecular Weight: 205.25
m/z: 205.11 (100.0%), 206.11 (13.4%)

 

InChI:InChI=1S/C12H15NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3f

InChI Key:FXNAUCNJLHEGGF-UHFFFAOYSA-N

Canonical SMILES:CN(C)C=CC(=O)C1=CC=C(C=C1)OC

 

Thermal Properties Value Condition Note
Melting Point 99 °C   (5)CAS
Melting Point 89-91 °C   (3)CAS
Melting Point 88-91 °C Solv: ethyl ether (60-29-7) (1)CAS
Melting Point 85-87 °C Solv: hexane (110-54-3) (2)CAS
Melting Point See full text   (4)CAS

Specification

98%

References
  1. (1) Hernandez, Susana; Journal of Organic Chemistry 2010, V75(2), P434-441 CAPLUS
  2. (2) Rosa, Fernanda A.; Journal of Heterocyclic Chemistry 2008, V45(3), P879-885 CAPLUS
  3. (3) Balbi, Alessandro; European Journal of Medicinal Chemistry 2011, V46(11), P5293-5309 CAPLUS
  4. (4) Chanda, Kaushik; Journal of the Indian Chemical Society 2004, V81(9), P791-793 CAPLUS
  5. (5) Kantevari, Srinivas; Bioorganic & Medicinal Chemistry Letters 2011, V21(4), P1214-1217 CAPLUS
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