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CAS Number: 188576-49-0
tert-butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

Structure

 tert-butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
Name: tert-butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
Synonyms:
General Information
Product Number: 188576490

CAS Registry Number 188576-49-0
Name:
2(1H)?-?Isoquinolinecarboxyl?ic acid, 3,?4-?dihydro-?7-?hydroxy-?, 1,?1-?dimethylethyl ester
1,1-Dimethylethyl 7-hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate
7-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

 

Chemical Formula: C14H19NO3
Exact Mass: 249.14
Molecular Weight: 249.31
m/z: 249.14 (100.0%), 250.14 (15.5%), 251.14 (1.8%)

 

InChI:InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3

InChI Key:SVWCQVGJRNYYBX-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)O

 

Thermal Properties Value Condition Note
Melting Point 140-142.5 °C   (2)CAS

Specification

98%
References

(2) Kucznierz, Ralf; Journal of Medicinal Chemistry 1998, V41(25), P4983-4994 CAPLUS
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