58537-55-6

Basic information

• Product Name: dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime
• Synonyms: dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime;Dihydro-6-imino-5-hydroxyimino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione;Einecs 261-316-4;(Z)-5-(hydroxyimino)-6-imino-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione
• CAS NO: 58537-55-6
• Molecular Formula: C₆H₈N₄O₃
• Molecular Weight: 184.15272
• EINECS: 261-316-4
• Mol File: 58537-55-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 240.8°Cat760mmHg
• Flash Point: 99.5°C
• Appearance: /
• Density: 1.61g/cm³
• Vapor Pressure: 0.00034mmHg at 25°C
• Refractive Index: 1.673
• CAS DataBase Reference: dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime(CAS DataBase Reference)
• NIST Chemistry Reference: dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime(58537-55-6)
• EPA Substance Registry System: dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime(58537-55-6)

Safety Data

• Hazardous Substances Data: 58537-55-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7,13H,1-2H3

Upstream product

• 17743-04-3 1,3-dimethyl-6-iminouracil 
• 39615-79-7 1-(2-cyanoacetyl)-1,3-dimethyl-urea 
• 6642-31-5 6-Amino-1,3-dimethylbarbituric acid 

Downstream Products

• 5440-00-6 4,5-Diamino-1,3-dimethyluracil 
• 7597-60-6 1,3-dimethyl-4-amino-5-(formylamino)uracil 
• 3485-82-3 theophylline sodium salt 
• 33797-75-0 1,3-dimethyl-8-(thiophen-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 

Relevant articles and documents

Preparation method of theophylline sodium salt

The invention relates to the technical field of pharmaceutical chemicals, and particularly discloses a preparation method of theophylline sodium salt. The preparation method of theophylline sodium salt comprises the following process steps: mixing cyanoacetic acid and acetic anhydride for reaction to obtain mixed anhydride, and performing a condensation reaction on the mixed anhydride and 1,3-dimethylurea to obtain 1,3-dimethyl cyanoacetylurea; sequentially carrying out cyclization, nitrosation, hydrogenation and acylation on the 1,3-dimethyl cyanoacetylurea to obtain 1,3-dimethyl-4-amino-5-formylamino uracil; subjecting the 1,3-dimethyl-4-amino-5-formylamino uracil to ring closing to obtain the theophylline sodium salt. According to the preparation method, the reaction conditions are mildand easy to control, the product yield is high, byproducts are few, strong ammonia gas smell is avoided, the cost is low, and generated pollution wastes are few.