150134
异喹啉-1-羧酸
99%
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关于此项目
经验公式（希尔记法）:
C10H7NO2
化学文摘社编号:
分子量:
173.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-639-6
Beilstein/REAXYS Number:
129177
MDL number:
Assay:
99%
InChI key
XAAKCCMYRKZRAK-UHFFFAOYSA-N
InChI
1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
SMILES string
OC(=O)c1nccc2ccccc12
assay
99%
mp
164 °C (dec.) (lit.)
functional group
carboxylic acid
Quality Level
Application
Isoquinoline-1-carboxylic acid was used in the preparation of 4-cyano-3-ethoxy-1-hydroxy-5,6,7,8-tetrahydroisoquinoline.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Knoevenagel condensation of 2-carbethoxycyclohexanone and malononitrile: Synthesis of 4-cyano-3-ethoxy-1-hydroxy-5, 6, 7, 8-tetrahydroisoquinoline, an isomer of the abnormal product.
Kasturi TR and Sharma VK.
Tetrahedron, 31(6), 527-531 (1975)
Jennifer A Jacobsen et al.
Journal of medicinal chemistry, 54(2), 591-602 (2010-12-30)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases
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