3485-82-3

Basic information

• Product Name: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt
• Synonyms: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt;Theophyllinesodiumsalt;1,3-DIMETHYLXANTHINE SODIUM SALT;6-dione, 3,7-dihydro-1,3-dimethyl-1h-purine- sodium salt;heophylline, sodium deriv.;sodium theophylline;sodium thiophyllinate;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, sodium salt
• CAS NO: 3485-82-3
• Molecular Formula: C₇H₇N₄O₂*Na
• Molecular Weight: 203.15379
• EINECS: 222-472-9
• Mol File: 3485-82-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 271.1°Cat760mmHg
• Flash Point: 117.8°C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt(3485-82-3)
• EPA Substance Registry System: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt(3485-82-3)

Safety Data

• Hazardous Substances Data: 3485-82-3(Hazardous Substances Data)

Usage

General Description

3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is a chemical compound commonly known as sodium theophylline. It is a salt form of theophylline, which is a xanthine derivative and a bronchodilator medication used to treat asthma and chronic obstructive pulmonary disease (COPD). Theophylline works by relaxing the smooth muscles in the airways, making it easier to breathe. It also has the ability to stimulate the central nervous system, diuretic effects, and can increase heart rate. The sodium salt form of theophylline is often used in pharmaceutical formulations to improve its solubility and absorption in the body. However, it can also have side effects such as nausea, headaches, and palpitations, and should be used with caution in patients with certain medical conditions or when taking other medications.

InChI:InChI=1/C7H8N4O2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+1

Upstream product

• 43108-85-6 1,3-dimethyl-4-imino-5-isonitrosourazine 
• 17743-04-3 1,3-dimethyl-6-iminouracil 
• 39615-79-7 1-(2-cyanoacetyl)-1,3-dimethyl-urea 
• 7597-60-6 1,3-dimethyl-4-amino-5-(formylamino)uracil 
• 58537-55-6 1,3-dimethyl-6-imino-5-isonitrosouracil 

Downstream Products

• 88338-63-0 7-[(5-methyl-1,2,4-oxadiazol-3-yl)-methyl]-theophylline 
• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 137046-51-6 7-<4-(2-nitroimidazol-1-yl)butyl>theophylline 

Relevant articles and documents

Method for synthesizing caffeine

The invention discloses a method for synthesizing caffeine, and relates to the technical field of preparation of heterocyclic compounds containing purine ring systems. The preparation method comprisesthe following steps: mixing cyanoacetic acid and acetic anhydride at 30-80 DEG C for reaction, adding a solvent and dimethylurea, cooling to room temperature after reflux reaction is finished, filtering, concentrating filtrate, combining solids to obtain dimethylacetamide, adding liquid caustic soda to adjust the pH to 8-11, and reacting at 80-100 DEG C to generate dimethyl 4AU; the method comprises the following steps: completely dissolving dimethyl 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 dimethyl FAU; adding water and liquid caustic soda into dimethyl FAU, and carryingout a ring-closure reaction to obtain theophylline sodium salt; the theophylline sodium salt is subjected to methylation reaction and refining to obtain caffeine. The method has the advantages of accessible raw materials, mild and controllable reaction conditions, fewer steps, high yield and greatly higher product quality, is simple to operate, and can easily implement industrial production.