Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Name	Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Synonyms	TIMTEC-BB SBB000654 2-Amino-3-carbethoxy-4,5-tetramethylenethiophene Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylat Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl-2-Amino-4,5,6,7-Tetrahydrobenzene(B)Thiophene-3-Carboxlate 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl 4,5,6,7-Tetrahydro-2-aminobenzo[b]thiophene-3-carboxylic acid ethyl ester
CAS	4506-71-2
EINECS	224-823-1
InChI	InChI=1/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKey	CDYVTVLXEWMCHU-UHFFFAOYSA-N

Molecular Formula	C11H15NO2S
Molar Mass	225.31
Density	1.235±0.06 g/cm3(Predicted)
Melting Point	114-116°C(lit.)
Boling Point	407.5±45.0 °C(Predicted)
Appearance	Fine Crystalline Powder
Color	Yellow
pKa	0.53±0.20(Predicted)
Storage Condition	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
MDL	MFCD00005862

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed
Safety Description	S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust.
WGK Germany	3
HS Code	29339900
Hazard Class	IRRITANT

use	2-amino -4,5,6,7-tetrahydrobenzothianol-3-carboxylate ethyl ester is yellow fine crystalline powder, which can be used as a pharmaceutical intermediate for pharmaceutical synthesis.
Synthesis method	Using cyclohexanone and acetonitrile acetate as starting materials, the target compound 2-amino -4,5,6,7-Tetrahydrobenzothiophenol -3-carboxylic acid ethyl ester is prepared by thiazole cyclidation. The synthesis reaction formula is as follows:

Last Update：2024-04-09 02:00:08

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