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ChemicalBook >> CAS DataBase List >>2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Structure
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile structure
CAS No.
4651-91-6
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Synonyms
AKOS 92450;AKOS B000460;AKOS BBB/010;AURORA 23331;AKOS MSC-0410;ASISCHEM N16411;AKOS BBS-00007325;ZERENEX E/4047691;BUTTPARK 58\40-71;BIO-FARMA BF000441
CBNumber:
CB3323681
Molecular Formula:
C9H10N2S
Molecular Weight:
178.25
MDL Number:
MFCD00128278
MOL File:
4651-91-6.mol
MSDS File:
SDS
Last updated:2026-09-12 18:51:59
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2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Properties

Melting point 151-153°C
Boiling point 398.1±42.0 °C(Predicted)
Density 1.27±0.1 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
pka 0.34±0.20(Predicted)
Appearance Yellow to brown Solid
InChI InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKey ADHVMGAFAKSNOM-UHFFFAOYSA-N
SMILES C12CCCCC=1C(C#N)=C(N)S2
CAS DataBase Reference 4651-91-6(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Warning
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36/37/39
RIDADR  3439
HazardClass  IRRITANT
HS Code  29349990
NFPA 704
0
2 0

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile price More Price(50)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich S946494 2-AMINO-4,5,6,7-TETRAHYDROBENZO(B)THIOPHENE-3-CARBONITRILE AldrichCPR 4651-91-6 1 unit $197 2026-04-30 Buy
Sigma-Aldrich S946494 2-AMINO-4,5,6,7-TETRAHYDROBENZO(B)THIOPHENE-3-CARBONITRILE Aldrich 4651-91-6 50mg $179 2024-03-01 Buy
TCI Chemical A3580 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile min. 98.0 % 4651-91-6 5G $115 2026-04-30 Buy
TCI Chemical A3580 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile min. 98.0 % 4651-91-6 25G $346 2026-04-30 Buy
Apolloscientific OR7031 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile ≥95% 4651-91-6 1g $21 2026-06-04 Buy
Product number Packaging Price Buy
S946494 1 unit $197 Buy
S946494 50mg $179 Buy
A3580 5G $115 Buy
A3580 25G $346 Buy
OR7031 1g $21 Buy

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Chemical Properties, Uses, Production

Chemical Properties

White solid

Synthesis

Cyclohexanone

108-94-1

Malononitrile

109-77-3

2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE

4651-91-6

GENERAL METHOD: A mixture of cyclohexanone (1 mmol), malononitrile (1 mmol), elemental sulfur (1 mmol) and BSA (20 mg) was dissolved in 1 mL of DMF. The reaction was carried out at 50 °C and 200 rpm. Upon completion of the reaction, BSA was removed by filtration to terminate the reaction. For high yield products, the reaction mixture was poured into water to precipitate the solid product, which was subsequently filtered and dried. For low yield products, the crude product was purified by rapid column chromatography on silica gel with the eluent being a mixed petroleum ether/ethyl acetate solvent. The structure of the product was confirmed by IR, 1H NMR and 13C NMR spectra.1H NMR (400 MHz) and 13C NMR (100 MHz) spectra were recorded on a Bruker Avance 400 spectrometer using CDCl3 as the solvent and TMS as the internal standard.IR spectra were obtained by a Nicolet Nexus 470 FT-IR spectrophotometer. HPLC analyses were performed using an Agilent 1100 series system equipped with an Agilent TC-C18 column (for 3a, 3c, 3e, 3g, 3i, 3k: methanol/water = 60/40 at a flow rate of 1.0 mL/min with a detection wavelength of 220 nm; for 3b, 3d, 3f, 3h, 3j, 3l: methanol/water = 60/40 at a flow rate of 1.0 mL/min). (1.0 mL/min, detection wavelength 229 nm). All solvents used for column chromatography were distilled and purified before use.2.2.1. 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (3a) is a yellow solid with a melting point of 140-142 °C (literature values 144-146 °C).IR (KBr): 3447, 3329, 2198 cm-1.1H NMR (400 MHz, CDCl3): δ 4.62 (broad peak, 2H), 2.53-2.46 (multiple peaks, 4H), 1.85-1.73 (multiple peaks, 4H).13C NMR (100 MHz, CDCl3): δ 159.9, 132.4, 120.7, 115.5, 88.8, 24.5, 24.1, 23.4, 22.1.

References

[1] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 95, p. 29 - 35
[2] Synlett, 2010, # 9, p. 1351 - 1354
[3] Synthetic Communications, 2010, vol. 40, # 14, p. 2067 - 2074
[4] Applied Organometallic Chemistry, 2018, vol. 32, # 5,
[5] Patent: WO2005/44008, 2005, A2. Location in patent: Page/Page column 91

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Preparation Products And Raw materials

Raw materials

Sulfur Malononitrile Ethanol Diethylamine Cyclohexanone
Bovine albumin Cyclic octaatomic sulfur N,N-Dimethylformamide

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Preparation Products

5,6,7,8-Tetrahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidine-2,4-dithione 2-([(E)-(4-Chlorophenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-(Chloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Suppliers

Global Suppliers ( 132)
Supplier Tel Email Country ProdList Advantage
Yancheng Orgunion Pharmaceutical Sci & Tech Co., Ltd. 0515-89701588 13770166955 orgunion@orgunion.com China 620 55
Changzhou Qiyu Biotechnology Co., Ltd. 13961298435 zzyqqq@163.com China 46 58
Accela ChemBio Co.,Ltd. 021-50795510 4000665055 marketing@accelachem.com China 10972 64
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Wuhan Chemwish Technology Co., Ltd 86-027-67849912 sales@chemwish.com China 35884 56
Shanghai ZaiQi Bio-Tech Co., Ltd. 021-54824098, 021-37212705 021-37212706, 13391256916 sales@chemzq.com China 569 55
SuZhou ShiYa Biopharmaceuticals, Inc. 86(512)5235 8471 17715136450 sales@shiyabiopharm.com China 4167 58
Shanghai Aladdin Bio-Chem Technology Co.,LTD 400-6206333 13167063860 anhua.mao@aladdin-e.com China 29977 65
Clearsynth Labs Limited +91-22-26355700 info@clearsynth.com India 9656 58
Suzhou APIC Biotechnology Co., Ltd. 0512-65757861-8000 sales@apiclab.cn China 273 58
Supplier Advantage
Yancheng Orgunion Pharmaceutical Sci & Tech Co., Ltd. 55
Changzhou Qiyu Biotechnology Co., Ltd. 58
Accela ChemBio Co.,Ltd. 64
J & K SCIENTIFIC LTD. 76
Wuhan Chemwish Technology Co., Ltd 56
Shanghai ZaiQi Bio-Tech Co., Ltd. 55
SuZhou ShiYa Biopharmaceuticals, Inc. 58
Shanghai Aladdin Bio-Chem Technology Co.,LTD 65
Clearsynth Labs Limited 58
Suzhou APIC Biotechnology Co., Ltd. 58

View Latest Price from 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE pictures 2020-01-15 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
4651-91-6
 $5.50 1KG 98%min 1kg-100kg Career Henan Chemical Co
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE pictures 2020-01-15 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
4651-91-6
 $5.50 1KG 98%min 1kg-100kg Career Henan Chemical Co

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Spectrum

2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE(4651-91-6)1HNMR

4651-91-6 (2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile) Related Search:

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AURORA 9534 AKOS 90761 AURORA 9670 AKOS 89936 3-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl)-acrylic acid
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2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBONITRYLE 2-AMINO-4,5-TETRAMETHYLENE-3-THIOPHENECARBONITRILE 1-BENZOTHIOPHENE-3-CARBONITRILE, 2-AMINO-4,5,6,7-TETRAHYDRO- AKOS MSC-0410 AKOS BBS-00007325 AKOS BBB/010 AKOS B000460 AKOS 92450 TIMTEC-BB SBB000201 OTAVA-BB BB0111860022 ZERENEX E/4047691 4,5,6,7-Tetrahydro-2-amino-1-benzothiophene-3-carbonitrile 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile(SALTDATA: FREE) IFLAB-BB F0016-0385 CHEMBRDG-BB 3000460 BIO-FARMA BF000441 AURORA 23331 BUTTPARK 58\40-71 ART-CHEM-BB B000460 ASISCHEM N16411 2-AMINO-3-CYANO-4,5,6,7-TETRAHYDROBENZO(B)THIOPHENE 2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBONITRILE 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-Amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZO[B]THIOPHENE-3-CARBONITRILE 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile ,97% Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro- 2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CAR 3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 4651-91-6 Aromatic Nitriles