AKOS BBS-00006621

AKOS BBS-00006621 - Names and Identifiers

Name	2-aminothiophene-3-carbonitrile
Synonyms	AKOS 92285 AKOS B014697 AKOS BBS-00006621 ART-CHEM-BB B014697 2-AMINO-3-CYANOTHIOPHENE 2-Amino-3-cyanothiophene 2-aminothiophene-3-carbonitrile 2-AMINOTHIOPHENE-3-CARBONITRILE 2-AMINO-3-THIOPHENECARBONITRILE
CAS	4651-82-5
InChI	InChI=1/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2

AKOS BBS-00006621 - Physico-chemical Properties

Molecular Formula	C5H4N2S
Molar Mass	124.16
Density	1.33
Melting Point	104-108 °C
Boling Point	318℃
Flash Point	146℃
Vapor Presure	0.000384mmHg at 25°C
Appearance	powder to crystalline
Color	White to Light yellow to Light orange
pKa	-0.28±0.10(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Sensitive	Sensitive to air
Refractive Index	1.627
MDL	MFCD00706298

AKOS BBS-00006621 - Risk and Safety

Risk Codes	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 Description	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.
UN IDs	3439
WGK Germany	3
Hazard Class	IRRITANT

AKOS BBS-00006621 - Reference Information

use

2-aminothiophene-3-nitrile is a pharmaceutical intermediate. Due to its important role in immunity, HPK1 inhibitors play an important role in malignant solid tumors or hematological cancers (such as acute myeloid leukemia, bladder epithelial cancer, breast cancer, colon cancer, lung cancer, pancreatic cancer, melanoma), autoimmune diseases (Such as systemic lupus erythematosus, psoriatic arthritis) and inflammatory response.

Preparation

2-aminothiophene-3-nitrile is a pharmaceutical intermediate, which can be made of 1, 4-dithiane-2, 5-Diol and malononitrile are prepared by one-step reaction. There are reports that it can be used to prepare HPK1 inhibitors. The raw materials 1,4-dithiane -2,5-diol (100g,0.66mol,1.0eq) were dissolved in methanol (500mL), then malononitrile (86.86g,1.32mol,2.0eq) and triethylamine (20mL) were added, the reaction was carried out at 70 ℃ for 30 minutes, TLC detection was complete, the reaction solution was concentrated, and the crude product was carried out by silica gel column chromatography (PE:EA = 4:1) purified yellow solid product (80g, yield: 98%).

Last Update：2024-04-09 20:52:54