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CAS Number: 14028-68-3
ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

Structure

 ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Name: ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Synonyms:
General Information
Product Number: 14028683

CAS Registry Number 14028-68-3
Name:
1-?Isoquinolineacetic acid, 1,?2,?3,?4-?tetrahydro-?6,?7-?dimethoxy-?, ethyl ester
Ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-acetate

 

Chemical Formula: C15H21NO4
Exact Mass: 279.15
Molecular Weight: 279.33
m/z: 279.15 (100.0%), 280.15 (16.6%), 281.15 (2.1%)

 

InChI;InChI=1S/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3

InChI Key:RLUWHGCQILMZMC-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC

 

Thermal Properties Value Condition Note
Melting Point 78-79 °C   (2)IC
Melting Point 77.5-78 °C   (3)CAS
Melting Point 76-77 °C   (4)CAS
Melting Point 73-74 °C Solv: ethanol (64-17-5) (1)IC

Specification

98%
References
  1. (1) Pelletier, Jeffrey C.; Synthesis 1987, (5), P474-7 CAPLUS
  2. (2) Arya, V. P.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1976, V14B(10), P784-6 CAPLUS
  3. (3) Gensler, Walter J.; Journal of Organic Chemistry 1956, V21, P336-9 CAPLUS
  4. (4) Schneider, Woldemar; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1966, V299(12), P997-102 CAPLUS
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