ChemicalBook > CAS DataBase List > 3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Product Name
3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
CAS No.
119205-38-8
Chemical Name
3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Synonyms
Methyl 3-aMino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate;methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate;Ethyl 3-amino-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophene-2-carboxylate;3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester;3-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid methyl ester ,97%
CBNumber
CB3670288
Molecular Formula
C10H13NO2S
Formula Weight
211.28
MOL File
119205-38-8.mol
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3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Property

Melting point:
70-73 °C
Boiling point:
414.3±45.0 °C(Predicted)
Density 
1.273±0.06 g/cm3(Predicted)
storage temp. 
2-8°C(protect from light)
pka
2.24±0.20(Predicted)
Appearance
White to off-white Solid
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

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.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

AK Scientific
Product number
3282AA
Product name
Methyl3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
Packaging
100mg
Price
$185
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
AAA0007076
Product name
3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Purity
98.00%
Packaging
250MG
Price
$376.95
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
AAA0007076
Product name
3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Purity
98.00%
Packaging
5G
Price
$1848
Updated
2021/12/16
Ambeed
Product number
A237026
Product name
Methyl3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
Purity
97%
Packaging
100mg
Price
$107
Updated
2021/12/16
Ambeed
Product number
A237026
Product name
Methyl3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
Purity
97%
Packaging
250mg
Price
$160
Updated
2021/12/16
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3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Chemical Properties,Usage,Production

Synthesis

1263199-68-3

119205-38-8

Ethyl methyl-S-(2-cyanocyclohex-1-enyl)sulfonate (9) (0.17 g, 0.78 mmol) was used as the starting material and it was mixed with freshly distilled anhydrous THF (3 mL). Potassium tert-butoxide (0.09 g, 0.78 mmol) was subsequently added and the reaction mixture was heated to reflux for 30 min. The reaction progress was monitored by thin layer chromatography (TLC) (eluent: petroleum ether/ethyl acetate, 5:1). After completion of the reaction, the mixture was concentrated under reduced pressure, dissolved by addition of dichloromethane (25 mL) and washed with distilled water (2 x 20 mL), and the organic phase was dried over anhydrous magnesium sulfate. After evaporation of the solvent, the resulting oil was dried under high vacuum (10^-1 mbar). After refrigeration overnight, the light yellow solid product methyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate (135 mg, 80% yield) was obtained. The product was characterized as follows: melting point 70-73 °C; 1H NMR (CDCl3) δ: 1.82 (m, 4H, H5, H6), 2.30 (m, 2H, H7), 2.67 (m, 2H, H4), 3.79 (s, 3H, COOCH3), 5.36 (br s, 2H, NH2); 13C NMR (CDCl3) δ. 21.9, 22.6 (2CH2, C5, C6), 23.1 (CH2, C4), 25.8 (CH2, C7), 51.1 (COOCH3), 97.3 (CAr), 126.2 (CAr), 143.5 (CAr), 152.6 (CAr), 165.4 (COOCH3); IR (KBr) ν: 768 , 1072, 1095, 1130, 1198, 1263, 1300, 1342, 1448, 1493, 1568, 1604, 1668, 1734 (ester), 2858, 2933, 3361 (NH2), 3464 (NH2) cm^-1 ; MS (EI, 70 eV) m/z (%): 32 ( 80), 40 (10), 45 (10), 65 (10), 77 (15), 91 (15), 118 (15), 151 (65), 179 (90), 211 (M+, 100), 212 (M+H+, 10); HRMS-FAB: m/z [M+H]+ calcd for C10H13NO2S. 211.0667; found: 211.0745.

References

[1] Tetrahedron Letters, 2011, vol. 52, # 3, p. 401 - 403

3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Suppliers

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119205-38-8, 3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTERRelated Search:


  • 3-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
  • methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
  • Methyl 3-aMino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate
  • Ethyl 3-amino-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophene-2-carboxylate
  • 3-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid methyl ester ,97%
  • Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester
  • 119205-38-8