8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1) | CAS No. 606-04-2

8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1)

Basic Information

CAS Number

606-04-2

Molecular Formula

C11H18BrN5O3

Molecular Weight

348.2 g/mol

AD

Basic Physical Properties

Melting Point

295°C(dec.)

Boiling Point

469.5°C at 760 mmHg

Flash Point

237.7 °C

CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

InChI

InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3

InChIKey

ATOTUUBRFJHZQG-UHFFFAOYSA-N

LogP

-0.5611999999999993

Topological Polar Surface Area

118.92999999999999 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

340

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • PAMABROM [MART.]
  • Pamabrom (USP)
  • PAMABROM [WHO-DD]
  • 606-04-2 (salt)
  • 606-04-2
  • MFCD00867328
  • DTXSID80209397
  • CHEMBL2104825
  • CS-1106
  • 2-amino-2-methyl-1-propanol-8-bromotheophyllinate
  • Midol Bloat Relief
  • PAMABROM
  • Pamabrom [USAN]
  • D08962
  • 8-Bromo-1,3-dimethyl-3,9-dihydro-purine-2,6-dione
  • DB11106
  • AS-11777
  • 8-Bromotheophylline compound with 2-amino-2-methyl-1-propanol (1:1)
  • UA8U0KJM72
  • 8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione compound with 2-amino-2-methylpropan-1-ol (1:1)
  • A832802
  • PAMABROM [USP MONOGRAPH]
  • 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
  • AKOS016339632
  • 8-Bromotheophylline 2-Amino-2-methyl-1-propanol
  • 2-AMINO-2-METHYLPROPANOL-1-8-BROMOTHEOPHYLLINATE
  • PAMABROM [MI]
  • 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione compound with 2-amino-2-methylpropan-1-ol (1:1)
  • Q7129023
  • SCHEMBL92712
  • CCG-213575

MDL Number

MFCD00867328

FAQ

What are the physical and chemical properties of 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1) (CAS: 606-04-2)?

The compound has a crystalline form with a molecular weight of approximately 352.05 g/mol. It is slightly soluble in water and other polar solvents. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored away from strong acids and bases.

How is 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1) (CAS: 606-04-2) typically synthesized?

The compound is synthesized via a condensation reaction between 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and 2-amino-2-methyl-1-propanol, using a base like potassium carbonate as a catalyst. The reaction is carried out under reflux conditions and yields up to 90% purity. Selectivity and yield can be optimized through careful control of reaction conditions.

What industries use 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1) (CAS: 606-04-2)?

This compound is used in pharmaceuticals for the synthesis of purine-based drugs. It is also utilized in the development of sensors and semiconductors due to its unique chemical properties. Additionally, it may find applications in the polymer industry for specific chemical modification purposes.

What precautions should be taken when handling 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methyl-1-propanol (1:1) (CAS: 606-04-2)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The reaction mixture should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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