| Identification | More | [Name]
2-AMINO-3-CYANOTHIOPHENE | [CAS]
4651-82-5 | [Synonyms]
2-AMINO-3-CYANOTHIOPHENE
2-AMINO-3-THIOPHENECARBONITRILE
2-AMINOTHIOPHENE-3-CARBONITRILE
AKOS 92285
AKOS B014697
AKOS BBS-00006621
ART-CHEM-BB B014697
BUTTPARK 36\18-34
TIMTEC-BB SBB005484
2-AMINIO-3-CYANOTHIOPHENE | [Molecular Formula]
C5H4N2S | [MDL Number]
MFCD00706298 | [Molecular Weight]
124.16 | [MOL File]
4651-82-5.mol |
| Questions And Answer | Back Directory | [Synthesis]
2-AMINO-3-CYANOTHIOPHENE is a pharmaceutical intermediate that can be prepared in one step from 1,4-dithiane-2,5-diol and malononitrile. It has been reported in the literature as a potential candidate for preparing HPK1 inhibitors. 
The starting material 1,4-dithiaran-2,5-diol (100 g, 0.66 mol, 1.0 eq) was dissolved in methanol (500 mL), followed by the addition of malononitrile (86.86 g, 1.32 mol, 2.0 eq) and triethylamine (20 mL). The reaction was carried out at 70 °C for 30 minutes. The reaction was confirmed to be complete by TLC. The reaction solution was concentrated, and the crude product was purified by silica gel column chromatography (PE:EA = 4:1) to obtain a yellow solid product (80 g, yield: 98%). | [Uses]
2-Aminothiophene-3-carboxynitrile is a pharmaceutical intermediate. Due to its important role in immunity, HPK1 inhibitors play an important role in malignant solid tumors or hematological malignancies (such as acute myeloid leukemia, bladder epithelial carcinoma, breast cancer, colon cancer, lung cancer, pancreatic cancer, melanoma), autoimmune diseases (such as systemic lupus erythematosus, psoriatic arthritis), and inflammatory responses. |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
104-108 °C | [Boiling point ]
318℃ | [density ]
1.33 | [Fp ]
146℃ | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
powder to crystalline | [pka]
-0.28±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2 | [InChIKey]
XVGHZFWFGXDIOU-UHFFFAOYSA-N | [SMILES]
C1(N)SC=CC=1C#N | [CAS DataBase Reference]
4651-82-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3439 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2934999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
|
| Company Name: |
Shandong Xpharm. Co.,LTD Gold
|
| Telephone: |
0531-18865936929 18865936929 |
| Website: |
https://www.chemicalbook.com/EnterpriseCredit_1637374988.htm |
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
Heterochem
|
| Telephone: |
027-88041443 13072715837 |
| Website: |
www.hetero-chem.com |
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