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CAS Number: 850346-74-6
methyl 1-bromo-8-isopropoxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

Structure

methyl 1-bromo-8-isopropoxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
Name: methyl 1-bromo-8-isopropoxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 850346746

CAS Registry Number 850346-74-6
Name:
Pyrrolo[2,?1-?a]?isoquinoline-?3-?carboxylic acid, 1-?bromo-?5,?6-?dihydro-?9-?methoxy-?8-?(1-?methylethoxy)?-?, methyl ester

 

Chemical Formula: C18H20BrNO4
Exact Mass: 393.06
Molecular Weight: 394.26
m/z: 393.06 (100.0%), 395.06 (100.0%), 394.06 (19.9%), 396.06 (19.3%), 397.06 (2.6%)

 

InChI:InChI=1S/C18H20BrNO4/c1-10(2)24-16-7-11-5-6-20-14(18(21)23-4)9-13(19)17(20)12(11)8-15(16)22-3/h7-10H,5-6H2,1-4H3

InChI Key:PPLGPVBLMOPLNK-UHFFFAOYSA-N

Canonical SMILES:CC(C)OC1=C(C=C2C(=C1)CCN3C2=C(C=C3C(=O)OC)Br)OC

 

Thermal Properties Value Condition Note
Melting Point 113.5-119.4 °C   (2)CAS
Melting Point 113.5-119.4 °C   (1)CAS

Specification

98%

References
  1. (1) Pla, Daniel; Journal of Medicinal Chemistry 2006, V49(11), P3257-3268 CAPLUS
  2. (2) Pla, Daniel; Journal of Organic Chemistry 2005, V70(20), P8231-8234 CAPLUS
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