ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
- Product Name
- ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
- CAS No.
- 4506-71-2
- Chemical Name
- ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
- Synonyms
- 105461;EOS-62180;NSC 99005;AKOS 92528;AKOS B000472;AKOS BBB/012;AKOS MSC-0429;ASISCHEM N39354;AKOS BBS-00004584;CBI-BB ZERO/004885
- CBNumber
- CB0312695
- Molecular Formula
- C11H15NO2S
- Formula Weight
- 225.31
- MOL File
- 4506-71-2.mol
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE Property
- Melting point:
- 114-116 °C(lit.)
- Boiling point:
- 407.5±45.0 °C(Predicted)
- Density
- 1.235±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 0.53±0.20(Predicted)
- form
- Fine Crystalline Powder
- color
- Yellow
- InChI
- InChI=1S/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
- SMILES
- C12CCCCC=1C(C(OCC)=O)=C(N)S2
- CAS DataBase Reference
- 4506-71-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36/37/38-22
- Safety Statements
- 36/37/39-26-22
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29339900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H301Toxic if swalloed
H311Toxic in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P322Specific measures (see …on this label).
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 159182
- Product name
- Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- Purity
- 97%
- Packaging
- 1g
- Price
- $39.1
- Updated
- 2023/06/20
- Product number
- A1355
- Product name
- Ethyl 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- Purity
- >98.0%(T)
- Packaging
- 10g
- Price
- $116
- Updated
- 2025/07/31
- Product number
- E899335
- Product name
- Ethyl2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Packaging
- 2.5g
- Price
- $65
- Updated
- 2021/12/16
- Product number
- X0157
- Product name
- Ethyl2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
- Packaging
- 25g
- Price
- $66
- Updated
- 2021/12/16
- Product number
- 42687
- Product name
- Ethyl2-amino-4,5,6,7-tetrahydrobenzo[β]thiophene-3-carboxylate,≥98%(Assaybytitration)
- Purity
- ≥98%(Assaybytitration)
- Packaging
- 10G
- Price
- $136.35
- Updated
- 2021/12/16
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE Chemical Properties,Usage,Production
Chemical Properties
yellow fine crystalline powder
Uses
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate was used in the preparation of:
- thienopyrimidine derivatives
- azo dyes
- N-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-aryl hydrazono-3-oxobutanamide derivatives
- tetrahydrobenzo[b]thiophene dyes
Synthesis
108-94-1
105-56-6
4506-71-2
GENERAL METHOD: Cyclohexanone (1 mmol), ethyl cyanoacetate (1 eq.), morpholine (1 eq.), and elemental sulfur (1 eq.) were dissolved in 5 mL of ethanol at 0°C and the reaction was stirred overnight. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The crude product was extracted three times with ethyl acetate, the organic layers were combined and dried over anhydrous sodium sulfate. After drying, the solvent was again evaporated under reduced pressure. The final product was obtained as purified ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate by recrystallization from a mixed methanol/water solvent as a yellow crystalline solid. Yield: 98%, melting point 134-135 °C. 1H NMR (400 MHz, DMSO-d6) δ 1.20 (3H, t, J = 7.1 Hz, CH3), 1.60-1.65 (4H, m, CH2), 2.35-2.37 (2H, m, CH2), 2.55-2.56 (2H, m, CH2), 4.11 (2H , q, J = 7.3 Hz, OCH2CH3), 7.14 (2H, br s, NH2).13C NMR (100 MHz, DMSO-d6) δ 14.18 (CH3), 22.34 (CH2), 22.76 (CH2), 23.88 (CH2), 26.49 (CH2), 58.71 (OCH2), 103.16 (Cq), 115.96 (Cq), 131.50 (Cq), 163.19 (Cq), 165.32 (C=O).
References
[1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 18, p. 4228 - 4240
[2] Synthetic Communications, 2010, vol. 40, # 14, p. 2067 - 2074
[3] European Journal of Medicinal Chemistry, 2016, vol. 122, p. 619 - 634
[4] Journal of Sulfur Chemistry, 2014, vol. 35, # 3, p. 261 - 269
[5] Tetrahedron Letters, 2007, vol. 48, # 18, p. 3171 - 3172
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE manufacturers
- Product
- ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE 4506-71-2
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-15
- Product
- ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE 4506-71-2
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- Ethyl 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 4506-71-2
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27