Isoquinoline-3-carboxylicacid
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Isoquinoline-3-carboxylicacid
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CAS No:
6624-49-3
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Formula:
C10H7NO2
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Chemical Name:
Isoquinoline-3-carboxylicacid
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Synonyms:
NSC 53385;AKOS BB-8838;3-ISOQUINALDIC ACID;RARECHEM AL BO 1320;3-Carboxyisoquinoline;ISOQUINOLINE-3-CARBOXYLIC ACID;3-ISOQUINOLINECARBOXYLIC ACID 98%;3-Isoquinolinecarboxylic acid (6CI,9CI);3-Carboxyisoquinoline, 3-Carboxy-2-azanaphthalene
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CAS No:
Safety Information
36/37/38-36
26-37/39
Xi
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Isoquinoline-3-carboxylicacid Use and Manufacturing
At 0 °C to a solution of 10.0 g (0.046 mmol) of (3S)-1, 2, 3, 4-tetrahydroisoquinoline-3-carboxylic acid in 200 ml of N, N-dimethylformamide 5.0 g (0.032 mmol) of KMnOAdd to 100ml eggplantIsoquinoline-3-carboxylate (3) (858 mg, 4.59 mmol)With a small amount of methanol dissolved, ice salt bath with 2N NaOH to adjust the pH = 12, a white precipitate;After the reaction is over, Ice salt bath with saturated KHSO4 adjusted pH = 7, Remove all solvents.The mixture was dissolved in a mixed solution of dichloromethane and methanol, and the filtrate was collected by filtration.After the filtrate was removed, A white solid (481.7 mg, 60.69percent) was obtained.
Computed Properties
Molecular Weight:173.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:50.2
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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