13621-50-6

Basic information

• Product Name: ETHYL 3-AMINO-3-THIOXOPROPANOATE
• Synonyms: ETHYL 3-AMINO-3-THIOXOPROPANOATE;THIOCARBAMOYL ACETIC ACID ETHYL ESTER;THIOCARBAMOYL ACETIC ACID ETHYL ESTER ETHYL 3-AMINO-3-THIOXOPROPANOATE;(Ethoxycarbonyl)thioacetamide;alpha-Ethoxycarbonylthioacetamide;Ethyl thiocarbamoylacetate;Propanoic acid,3-amino-3-thioxo-, ethyl ester
• CAS NO: 13621-50-6
• Molecular Formula: C₅H₉NO₂S
• Molecular Weight: 147.2
• Mol File: 13621-50-6.mol

Chemical Properties

• Melting Point: 78-79℃
• Boiling Point: 233℃
• Flash Point: 95℃
• Appearance: /
• Density: 1.194
• Vapor Pressure: 0.0586mmHg at 25°C
• Refractive Index: 1.525
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 12.71±0.29(Predicted)
• CAS DataBase Reference: ETHYL 3-AMINO-3-THIOXOPROPANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-AMINO-3-THIOXOPROPANOATE(13621-50-6)
• EPA Substance Registry System: ETHYL 3-AMINO-3-THIOXOPROPANOATE(13621-50-6)

Safety Data

• Hazardous Substances Data: 13621-50-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Ethyl 3-amino-3-thioxopropanoate is used as a key intermediate for the synthesis of various organic compounds. Its unique structure, featuring both a suffocated and an amino group, allows it to participate in a range of chemical reactions, making it a valuable building block in the creation of complex molecules.
Used in Pharmaceutical Industry:
Ethyl 3-amino-3-thioxopropanoate is used as a precursor in the development of pharmaceutical compounds. Its reactivity and functional groups enable the formation of new chemical entities that can be further optimized for therapeutic applications, potentially leading to the discovery of novel drugs.
Used in Chemical Research:
Ethyl 3-amino-3-thioxopropanoate is used as a research tool in academic and industrial laboratories. Its properties and reactivity make it an interesting subject for studying reaction mechanisms, exploring new synthetic routes, and understanding the behavior of similar compounds in various chemical contexts.

InChI:InChI=1/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9)

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 5873-88-1 2-Ethoxycarbonyl-S-methylthioacetamidate hydrochloride 
• 154076-58-1 7-Benzyloxy-2-oxo-2H-chromene-3-carbothioic acid amide 
• 17969-11-8 [4-(4-bromo-phenyl)-thiazol-2-yl]-acetic acid ethyl ester 
• 28924-62-1 ethyl 1-(4-chlorophenyl)-5-amino-1H-1,2,3-triazole-4-carboxylate 
• 1421848-85-2 ethyl 2-(4-(1-tert-butyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl)thiazol-2-yl)acetate 
• 1441052-06-7 ethyl 3-thioxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate 
• 1403884-00-3 ethyl 2-bromo-2-(4-(4-chlorophenyl)thiazol-2-yl)acetate 
• 17969-12-9 ethyl 2-(4-(4-chlorophenyl)thiazol-2-yl)acetate 
• 777839-19-7 ethyl [4-(4-methoxyphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]acetate 
• 796119-19-2 [4-(3-chloro-2-methoxy-5-triisopropylsilyloxy-phenyl)-thiazol-2-yl]-acetic acid ethyl ester 
• 139306-24-4 ethyl 2-(N,N'-dicyclohexyl-1-ethoxycarbonyl-4,6-dioxo-5,7-diazahept-2E-enylidene)-2,3-dihydro-5-methyl-6H,1,3-thiazine-4-carboxylate 
• 137999-47-4 2-Ethoxycarbonyl-N-(4-bromophenyl)acetamidine hydrochloride 
• 122380-11-4 2-Ethoxycarbonyl-N-(4-tolyl)acetamidine hydrochloride 

Relevant articles and documents

Compounds for treating spinal muscular atrophy

Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy. In a specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN2 into mRNA that is transcribed from the SMN2 gene. In another specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 into mRNA that is transcribed from the SMN1 gene. In yet another embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 and SMN2 into mRNA that is transcribed from the SMN1 and SMN2 genes, respectively.

COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY

Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy. In a specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN2 into mRNA that is transcribed from the SMN2 gene. In another specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 into mRNA that is transcribed from the SMN1 gene. In yet another embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 and SMN2 into mRNA that is transcribed from the SMN1 and SMN2 genes, respectively.

A mild and versatile synthesis of thioamides

Aliphatic and aromatic nitriles react with thioacetic acid in the presence of calcium hydride to give the corresponding thioamides in good to excellent yields. The examples studied include haloaryl nitriles in which the halogen is facile towards SNAr reactions under other conditions. Georg Thieme Verlag Stuttgart.

Substituted 1,3-thiazole compounds, their production and use

(1) A 1,3-thiazole compound of which the 5-position is substituted with a 4-pyridyl group having a substituent including no aromatic group or (2) a 1,3-thiazole compound of which the 5-position is substituted with a pyridyl group having at the position adjacent to a nitrogen atom of the pyridyl group a substituent including no aromatic group has an excellent p38 MAP kinase inhibitory activity.

JNK INHIBITOR

The present invention relates to a c-Jun N-terminal kinase inhibitor containing an azole compound (I) substituted by a nitrogen-containing aromatic group having substituent(s)(except a compound represented by the formula: ) or a salt thereof or a prodrug thereof.

A REMARKABLY SIMPLE CONVERSION OF NITRILES TO THIOAMIDES

Thiolacetic acid and light smoothly convert nitriles to thioamides.