| Identification | More | [Name]
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE | [CAS]
4815-28-5 | [Synonyms]
AURORA 971
AKOS BBB/013
AKOS B000691
AKOS MSC-0467
ASISCHEM V83886
AKOS BBS-00000705
CBI-BB ZERO/005481
CHEMBRDG-BB 3000691
IFLAB-BB F0239-0077
TIMTEC-BB SBB000354
ART-CHEM-BB B000691
2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE
2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXAMIDE
2-AMINO-3-CARBOXAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-AMINO-4,5,6,7-TETRAHYDRO-
Benzo[b]thiophene-3-carboxaMide, 2-aMino-4,5,6,7-tetrahydro-
2-Amino-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxamide
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID AMIDE
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide(SALTDATA: FREE) | [Molecular Formula]
C9H12N2OS | [MDL Number]
MFCD00111277 | [Molecular Weight]
196.27 | [MOL File]
4815-28-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
195-197℃ | [Boiling point ]
332.5±42.0 °C(Predicted) | [density ]
1.337±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
solid | [pka]
15.70±0.20(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12) | [InChIKey]
FFAKFORHXDNYEN-UHFFFAOYSA-N | [SMILES]
C12CCCCC=1C(C(N)=O)=C(N)S2 | [CAS DataBase Reference]
4815-28-5(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Hazard]
Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. | [Synthesis]
The synthesis of 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE is as follows:
A solution of aminothiophene EO (prepared as described in Example C; 500mg, 2.8 mmol) in concentrated sulphuric acid (5ml) was stirred at room temperature for 65 hours. The reaction mixture was poured cautiously into ice-cold aqueous potassium carbonate, diluted with water and extracted with ethyl acetate. The combined organic extracts were washed with water and brine, dried over magnesium sulphate and evaporated to dryness under reduced pressure to give the desired product (383mg, 70%) as an off-white solid.
 | [References]
[1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 21, p. 5556 - 5564
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 10, p. 4337 - 4350
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 11, p. 2367 - 2371
[4] Medicinal Chemistry, 2017, vol. 13, # 8, p. 753 - 760
[5] European Journal of Medicinal Chemistry, 2017, vol. 138, p. 1053 - 1065 |
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