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质量水平
方案
99%
mp
164 °C (dec.) (lit.)
官能团
carboxylic acid
SMILES字符串
OC(=O)c1nccc2ccccc12
InChI
1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChI key
XAAKCCMYRKZRAK-UHFFFAOYSA-N
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应用
Isoquinoline-1-carboxylic acid was used in the preparation of 4-cyano-3-ethoxy-1-hydroxy-5,6,7,8-tetrahydroisoquinoline.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
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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