44981-94-4

Basic information

• Product Name: N-(2-Cyanoethyl) GlycineEthyl Ester
• Synonyms: N-(2-Cyanoethyl) GlycineEthyl Ester;Glycine, N-(2-cyanoethyl)-, ethyl ester;ethyl 2-(2-cyanoethylaMino)acetate;N-Cyanoethylglycine ethyl ester;Ethyl N-(2-cyanoethyl)glycinate
• CAS NO: 44981-94-4
• Molecular Formula: C₇H₁₂N₂O₂
• Molecular Weight: 156.18238
• Mol File: 44981-94-4.mol

Chemical Properties

• Boiling Point: 272 °C at 760 mmHg
• Flash Point: 118.3 °C
• Appearance: /
• Density: 1.042 g/cm³
• Vapor Pressure: 0.00622mmHg at 25°C
• Refractive Index: 1.443
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• CAS DataBase Reference: N-(2-Cyanoethyl) GlycineEthyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-Cyanoethyl) GlycineEthyl Ester(44981-94-4)
• EPA Substance Registry System: N-(2-Cyanoethyl) GlycineEthyl Ester(44981-94-4)

Safety Data

• Hazardous Substances Data: 44981-94-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
N-(2-Cyanoethyl) GlycineEthyl Ester is used as a building block for the synthesis of complex molecules, contributing to the development of various drugs and biologically active compounds. Its unique functional groups and reactivity enable the creation of innovative pharmaceutical agents.
Used in Agrochemical Industry:
In the agrochemical sector, N-(2-Cyanoethyl) GlycineEthyl Ester serves as an intermediate in the production of agrochemicals, facilitating the synthesis of compounds that enhance crop protection and productivity. Its role in this industry is crucial for the development of effective and sustainable agricultural solutions.
Used in Organic Synthesis:
N-(2-Cyanoethyl) GlycineEthyl Ester is employed as a reagent in organic synthesis, where its versatile reactivity and stability are harnessed to create a wide range of chemical compounds. Its presence in this field is essential for advancing the synthesis of various drugs, agrochemicals, and other biologically active molecules.

InChI:InChI=1/C7H12N2O2/c1-2-11-7(10)6-9-5-3-4-8/h9H,2-3,5-6H2,1H3

Upstream product

• 107-13-1 acrylonitrile 
• 459-73-4 GlyOEt*HCl 
• 64-17-5 ethanol 
• 3088-42-4 N-(2-cyanoethyl)glycine 
• 623-33-6 glycine ethyl ester hydrochloride 
• 107-12-0 propiononitrile 

Downstream Products

• 16172-31-9 N-benzyloxycarbonyl-N-(2-cyano-ethyl)-glycine ethyl ester 
• 266353-18-8 N-tert-butoxycarbonyl-2-(2-cyanoethyl)aminoacetic acid ethyl ester 
• 398491-59-3 3-amino-2,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester 
• 827318-78-5 5-((R)-2-methoxy-2-phenylacetyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 916995-51-2 danusertib 
• 398495-65-3 3-amino-4,6-dihydro-pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-tert-butyl ester 1-ethyl ester 
• 761443-69-0 5-tert-butyl 1-ethyl 3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate 
• 761443-50-9 3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole 
• 398491-59-3 3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester 
• 1312572-60-3 4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one 
• 1312572-57-8 4-[5-(3-methyl-5-{[4-(methylsulfinyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one 
• 1312572-56-7 4-{5-[3-({4-[(2-hydroxyethyl)sulfanyl]pyrimidin-2-yl}amino)-5-methylphenyl]-1,3-thiazol-2-yl}-1,4-diazepan-2-one 
• 1312572-96-5 4-[5-(3-methyl-5-{[4-(methylsulfonyl)-2-pyrimidinyl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one 
• 1312572-51-2 4-[5-(3-methyl-5-{[4-(methylsulfanyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one 

Relevant articles and documents

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The invention provides a preparation method of a zabofloxacin intermediate. The method comprises: reacting ethyl glycinate hydrochloride with acrylonitrile under catalysis of a base to form an intermediate I; then reacting the intermediate I with Boc anhydride under the function of a strong base to generate an intermediate III; reacting the intermediate III, the methoxyamine hydrochloride and formaldehyde to generate an intermediate IV; and then preparing the zabofloxacin intermediate by reacting the intermediate IV with methanesulfonyl chloride, performing reduction with sodium borohydride, and other steps. The zabofloxacin intermediate is prepared through nine steps with a high yield and high quality by the method, the material adding amount reaches the level of hundreds of grams, and the method is suitable for industrial production.

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The invention relates to a preparation method of a gemifloxacin side chain. The preparation method comprises that N-tertbutyloxycarbonyl-4-cyano-3-pyrrolidone is prepared or taken and then reacts with trimethyl orthoformate to produce N-tertbutyloxycarbonyl-4-cyano-3-dimethoxypyrrolidone, the N-tertbutyloxycarbonyl-4-cyano-3-dimethoxypyrrolidone, methanol, a catalyst and (BOC)2 anhydride undergo a complete reaction at a room temperature to produce N-tertbutyloxycarbonyl-4-aminomethyl-3-dimethoxypyrrolidone, the N-tertbutyloxycarbonyl-4-aminomethyl-3-dimethoxypyrrolidone and HAC undergo a complete reaction at a room temperature with stirring to produce N-tertbutyloxycarbonyl-4-aminomethyl-3-pyrrolidone, and the N-tertbutyloxycarbonyl-4-aminomethyl-3-pyrrolidone is transformed into the gemifloxacin side chain 4-aminomethyl-3-methoxyiminopyrrolidone. The preparation method has simple processes, allows mild reaction conditions easily to be realized, has a low raw material price, a low cost and less environmental pollution and creates a novel gemifloxacin side chain pyrrolidone ketonic group protection method and a gemifloxacin side chain synthesis route.

(R)- N - [5 - (2 - methoxy - 2 - phenyl-acetyl) - 1, 4, 5, 6 - tetrahydro-pyrrolo [3, 4 - c] pyrazole - 3 - yl] - 4 - (4 - methyl piperazine - 1 - yl) benzamide synthesis method

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