| Identification | More | [Name]
2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER | [CAS]
4815-29-6 | [Synonyms]
2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID, 2-AMINO-5,6-DIHYDRO-, ETHYL ESTER
AKOS 92578
AKOS B000470
AKOS BBB/009
AKOS BBS-00004585
AKOS MSC-0428
BUTTPARK 96\57-70
ETHYL 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
ETHYL 2-AMINOCYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
IFLAB-BB F1386-0049
OTAVA-BB BB0125160050
Ethyl 2-aminocyclopenta[b]thiophene-3-carboxylate, 99+%
2-AMINO-5,6-DIHYDRO-4-[4H]-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate ,98% | [Molecular Formula]
C10H13NO2S | [MDL Number]
MFCD00102063 | [Molecular Weight]
211.28 | [MOL File]
4815-29-6.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to beige-brown crystalline powder | [Melting point ]
90-94 °C | [Boiling point ]
386.8±42.0 °C(Predicted) | [density ]
1.2079 (rough estimate) | [refractive index ]
1.6800 (estimate) | [storage temp. ]
2-8°C(protect from light) | [pka]
0.53±0.20(Predicted) | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3 | [InChIKey]
BOJXCJDYZJSPMZ-UHFFFAOYSA-N | [SMILES]
C12CCCC=1C(C(OCC)=O)=C(N)S2 | [CAS DataBase Reference]
4815-29-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed . | [Safety Statements ]
S22:Do not breathe dust . | [HazardClass ]
IRRITANT | [HS Code ]
29349990 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Sulfur-->Ethyl cyanoacetate-->Piperidine-->Cyclopentanone-->ETHYL 3-BUTYNOATE-->Acetic acid, 2-cyano-2-cyclopentylidene-, ethyl ester-->N-(1-Cyclopenten-1-yl)morpholine-->Morpholine-->Ethanol | [Preparation Products]
2-(CHLOROMETHYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE-->5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-chloro-2-(4-chlorophenyl)-6,7-dihydro--->ethyl 2-(thiophene-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate-->2-MERCAPTO-3-METHYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE-->4-CHLORO-6-METHYL-2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to beige-brown crystalline powder | [Synthesis]
GENERAL METHOD: Cyclopentanone (1.06 mL, 10 mmol), ethyl cyanoacetate (1.15 mL, 10 mmol), morpholine (0.90 mL, 10 mmol), and sulfur powder (0.32 g, 10 mmol) were dissolved in ethanol (10 mL) with stirring and refluxed overnight. Upon completion of the reaction, the reaction mixture was cooled to room temperature and the solvent was subsequently removed under vacuum. The crude product was washed with cold ethanol, filtered through a sintered funnel and dried under vacuum. The dried crude product was dissolved in dichloromethane and washed with brine. The organic layer was separated and concentrated under low vacuum to afford the target compound ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (2a), yield: 73% (1.83 g). | [References]
[1] Synthetic Communications, 2010, vol. 40, # 14, p. 2067 - 2074
[2] Journal of Sulfur Chemistry, 2014, vol. 35, # 3, p. 261 - 269
[3] Chemical Communications, 2018, vol. 54, # 81, p. 11411 - 11414
[4] Archiv der Pharmazie, 2018, vol. 351, # 5,
[5] Journal of Medicinal Chemistry, 2002, vol. 45, # 2, p. 382 - 389 |
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