Ethyl 5-chloro-1H-indole-2-carboxylate
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Ethyl 5-chloro-1H-indole-2-carboxylate
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CAS No:
4792-67-0
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Formula:
C11H10ClNO2
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Chemical Name:
Ethyl 5-chloro-1H-indole-2-carboxylate
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Synonyms:
1H-Indole-2-carboxylic acid,5-chloro-,ethyl ester;Indole-2-carboxylic acid,5-chloro-,ethyl ester;Ethyl 5-chloroindole-2-carboxylate;5-Chloroindole-2-carboxylic acid ethyl ester;5-Chloro-2-ethoxycarbonylindole;5-Chloro-1H-indole-2-carboxylic acid ethyl ester;NSC 94209;Ethyl 5-chloro-1H-indole-2-carboxylate
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CAS No:
Description
yellowish to light brown crystalline powder
5-Chloroindole-2-carboxylic acid ethyl ester is a used in the synthetic preparation of a potent anticonvulsant Ethyl 4-methylamino-5,7-dichloro-2-quinolinecarboxylate.
Ethyl 5-chloro-1H-indole-2-carboxylate Basic Attributes
223.66
223.66
170255
225-345-6
94209
DTXSID90197352
2933990090
Characteristics
42.1
3.8
Yellow to orange to tan or light brown Powder or Crystals
1.3±0.1 g/cm3
167-168 °C @ Solvent: Ethanol
375°C at 760 mmHg
180.6±22.3 °C
1.630
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
36/37/38
24/25-37-26
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 5-chloro-1H-indole-2-carboxylate Use and Manufacturing
500 g of polyphosphoric acid and 250 g of phosphoric acid were mixed and heated to 70 ° C with stirring, In part by adding the raw material 4-chlorophenylhydrazine pyruvate phenyl hydrazone 70 grams, control the temperature range of 70 ~ 90 , 1 hour to complete the raw materials, continue to control the temperature response of 40 minutes to complete the monitoring reaction, Poured into 1500 grams of ice water mixture, cooled, filtered and dried to give the product as a pale yellow solid, Dried to get5-chloroindole-2-carboxylic acidEthyl ester58 grams, the yield of 90percentA mixture of compound 2a (96 g, 0.4 mol) and polyphosphoric acid (960 g) was heated to 100 °C for 4 h and then poured into crush ice with acutely stirring. The precipitate was collected by filtration, washed with water and dried. The crude product was purified by recrystallization from ethanol. 3a was obtained as a white solid (39.4 g, 44percent). m.p. 175 °C. ESI-MS m/z: 222.6 (Cl = 35), 224.6 (Cl = 37) [M - H]
5-Chloroindole-2-carboxylic acid ethyl ester is a used in the synthetic preparation of a potent anticonvulsant Ethyl 4-methylamino-5,7-dichloro-2-quinolinecarboxylate.
Computed Properties
Molecular Weight:223.65
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:223.0400063
Monoisotopic Mass:223.0400063
Topological Polar Surface Area:42.1
Heavy Atom Count:15
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 5-chloro-1H-indole-2-carboxylate
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