6972-77-6

Basic information

• Product Name: 2-cyano-N-[(methylamino)carbonyl]acetamide
• Synonyms: 2-cyano-N-[(methylamino)carbonyl]acetamide;N-Methylcyanoacetylurea;2-Cyan-N-[(methylamino)carbonyl]acetamid;1-(Cyanoacetyl)-3-methylurea;N-(Methylcarbamoyl)cyanoacetamide;Acetamide, 2-cyano-N-((methylamino)carbonyl)- (9ci);Brn 1770632;Einecs 230-212-0
• CAS NO: 6972-77-6
• Molecular Formula: C₅H₇N₃O₂
• Molecular Weight: 142.13592
• EINECS: 230-212-0
• Mol File: 6972-77-6.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Density: 1.213 g/cm³
• Refractive Index: 1.468
• CAS DataBase Reference: 2-cyano-N-[(methylamino)carbonyl]acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyano-N-[(methylamino)carbonyl]acetamide(6972-77-6)
• EPA Substance Registry System: 2-cyano-N-[(methylamino)carbonyl]acetamide(6972-77-6)

Safety Data

• Hazardous Substances Data: 6972-77-6(Hazardous Substances Data)

Usage

General Description

2-cyano-N-[(methylamino)carbonyl]acetamide is a chemical compound with the molecular formula C5H8N4O2. It is a white solid that is soluble in water and organic solvents. 2-cyano-N-[(methylamino)carbonyl]acetamide is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. It is also used as a building block in the production of other organic compounds. Additionally, it has applications in the field of organic chemistry research as a reagent and catalyst. This chemical is considered to have low toxicity, but proper handling and storage procedures should be followed to ensure safe use.

InChI:InChI=1/C5H7N3O2/c1-7-5(10)8-4(9)2-3-6/h2H2,1H3,(H2,7,8,9,10)

Upstream product

• 4674-68-4 methylcyanamide 
• 372-09-8 cyanoacetic acid 
• 598-11-8 methyluronium nitrate 
• 598-50-5 N-Methylurea 
• 60-29-7 diethyl ether 

Downstream Products

• 29705-42-8 1-Methyl-3-((E)-3-p-tolylamino-acryloyl)-urea 
• 6490-39-7 1-Methyl-3-((E)-3-phenylamino-acryloyl)-urea 
• 23899-79-8 1-methyl-5-amino-2,4(1H,3H)pyrimidinedione 
• 1076-22-8 3-methylxanthine 
• 6972-82-3 5,6-diamino-1-methyluracil 
• 50996-12-8 6-amino-1-methyl-5-nitro-1H-pyrimidine-2,4-dione 
• 63981-33-9 6-amino-1-methyl-3-propyl-1,3-dihydropyrimidine-2,4-dione 

Relevant articles and documents

Preparation method of theobromine

The invention discloses a preparation method of theobromine, and relates to the technical field of preparation of heterocyclic compounds containing purine ring systems. The method comprises the following steps: adding oxalyl chloride into cyanoacetic acid and a solvent at the temperature of -10-20 DEG C, concentrating to remove the solvent and oxalyl chloride after reaction, adding monomethylureaand the solvent at the temperature of 0-30 DEG C, adding alkali as an acid-binding agent, adding water after reaction, stirring, and filtering to obtain monomethyl cyanoacetylurea; adding water to dissolve cyanuric chloride, adding liquid caustic soda to adjust the pH value to 8-11, and reacting at 80-100 DEG C to generate methyl 4AU; dissolving monomethyl 4AU in formic acid, adding sodium nitrite, reacting at room temperature, adding a catalyst, keeping the temperature at 30-70 DEG C, recovering the catalyst after the reaction is finished, and concentrating mother liquor to recover formic acid, thereby obtaining monomethyl FAU; adding water and liquid caustic soda into monomethyl FAU, carrying out ring-closure reaction, and then adding acid to adjust to be neutral, so as to obtain 3-methyl xanthine; and carrying out a methylation reaction on 3-methylxanthine, and refining to obtain theobromine. The method has the advantages of few reaction steps, few side reactions, high yield and stable product quality.

Ionic liquid mediated one-pot synthesis of 6-aminouracils

A novel, one-pot synthesis of 6-aminouracils via in situ generated ureas and cyanoacetylureas in the presence of an ionic liquid catalyst, 1,1,3,3-tetramethylguanidine acetate, is described. The catalyst can be recycled for five consecutive runs without loss of activity. The mechanism for the ring closure of cyanoacetylurea to 6-aminouracil is also discussed.

Synthesis of cyanacetylureas with a view to testing in Hymenolepis nana

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