5-Bromoindole-2-carboxylicacid
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5-Bromoindole-2-carboxylicacid
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CAS No:
7254-19-5
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Formula:
C9H6BrNO2
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Chemical Name:
5-Bromoindole-2-carboxylicacid
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Synonyms:
NSC 73384;AKOS JY2082545;5-Bromo-2-carboxy-1H-indole;5-BROMOINDOLE-2-CARBOXYLIC ACID;5-BROMO-2-INDOLECARBOXYLIC ACID;5-BroMo-1H-indol-2-carboxylic acid;5-BROMO-1H-INDOLE-2-CARBOXYLIC ACID;5-Bromoindole-2-carboxylic acid ,98%;1H-INDOLE-2-CARBOXYLIC ACID, 5-BROMO-;5-bromoindole-2-carboxylicacid5-Bromoindole-2-carboxylicacid
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
26-37/39
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromoindole-2-carboxylicacid Use and Manufacturing
A mixture of 134 g of 5-bromoindole-2-carboxylic acid ethyl ester in 31.25 g of 96percentSodium hydroxide in 183 ml of methanol and 183 ml of water was heated under reflux for 0.5 hour, Cooled to 40 ° C, 10percent hydrochloric acid was added dropwise to a pH of 3 to 4, Filtration gave 109.1 g of an off-white 5-bromoindole-2-carboxylic acid in 91percent yield and an HPLC content of ≥96percent
5-Bromoindole-2-carboxylic acid,Reactant involved in studies of biologically active molecules including:Discovery of indole inhibitors of MMP-13 for treatment of arthritic diseases1;Synthesis of indolyl ethanones as indoleamine 2,3-dioxygenase inhibitors2 ;cis-Diaminocyclohexane derivatives prepared for use as factor Xa inhibitors3 ;Synthesis of tubulin polymerization inhibitors and cancer cell growth inhibitors4 ;Preparation of dual PPARγ/δ agonists5;Synthesis of chemical probes to examine the role of hFPRL1 receptor .
Computed Properties
Molecular Weight:240.05
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:238.95819
Monoisotopic Mass:238.95819
Topological Polar Surface Area:53.1
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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