Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-ox...
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Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-ox...
structure -
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CAS No:
58168-20-0
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Formula:
C12H14N2O4S
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Chemical Name:
Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-ox...
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CAS No:
Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-ox... Basic Attributes
282.32
282.067413
1308068-626-2
DTXSID70372423
2934999090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Danger|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-ox... Use and Manufacturing
Preparation of ethyl 5-amino-4-cvano-3-(2-ethoxy-2-oxoethyl)-2-thiophene carboxylate compound of formula HI Triethylamine (25 g) was added to a solution of malononitrile (16.33 g) and diethyl-3- oxogutarate (50 g) in ethanol (75 ml) at ambient temperature. The reaction mixture was stirred at 40-45°C for 1 hour. Sulphur (7.9 g) was added into the reaction mass and was heated to reflux till the completion of reaction. The reaction mass was cooled at ambient temperature and added water (400 ml) slowly. Stirred the reaction mixture for 1 hour and filtered the product, washed with water (200 ml) and dry the product at 40-50°C. Yield 82percent.
Computed Properties
Molecular Weight:282.32
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:282.06742811
Monoisotopic Mass:282.06742811
Topological Polar Surface Area:131
Heavy Atom Count:19
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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