8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) | CAS No. 523-87-5

8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)

Basic Information

CAS Number

523-87-5

Molecular Formula

C24H28ClN5O3

Molecular Weight

513.97 g/mol

AD

Basic Physical Properties

Melting Point

102-107 ºC

Boiling Point

343.7 °C at 760 mmHg

Flash Point

101.5 °C

Solubility

Soluble in ethanol

Refractive Index

1.6500 (estimate)

[O-]C(=O)Cn1c(=O)c2[nH]c(nc2n(c1=O)C)Cl.C[NH+](CCOC(c1ccccc1)c1ccccc1)C

InChI

InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)

InChIKey

NFLLKCVHYJRNRH-UHFFFAOYSA-N

LogP

2.96790

Complexity

509

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • dimenhydrinate
  • diphenhydramine 8-chlorotheophyllinate
  • N-(2-Diphenylmethoxyethyl)-N,N-Dimethylammonium 8-Chlorotheophyllinate
  • 8-Chlor-1,3-dimethyl-3,7-dihydro-purin-2,6-dion,Verbindung mit (2-Benzhydryloxy-aethyl)-dimethyl-amin
  • 8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione,compound with (2-benzhydryloxy-ethyl)-dimethyl-amine
  • amosyt
  • DiMate
  • Dimenhydrinase
  • DIMENHYDRINATE,USP
  • dramyl
  • dromyl
  • emedyl
  • emes
  • epha
  • faston
  • gravol
  • vomexa
  • 2-(Benzhydryloxy)-N,N-dimethylethylamine 8-chlorotheophyllinate
  • 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compound
  • 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compound with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)
  • Dimenhydrinate

MDL Number

MFCD00054265

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) (CAS: 523-87-5)?

This compound is a crystalline solid with a molecular weight of approximately 634.44 g/mol. It has a limited solubility in water, with a solubility of around 0.05 g/100 mL at 25°C. The compound is known to react with bases and is relatively stable under normal conditions. It is not flammable and does not pose a significant risk in terms of reactivity under standard laboratory conditions.

How is 8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) (CAS: 523-87-5) typically synthesized?

This compound is typically synthesized via a multi-step process involving the coupling of a purine derivative with a diphenylmethanol derivative in the presence of a suitable catalyst, such as a Lewis acid. The reaction involves the formation of a new ester bond, followed by amination to introduce the N,N-dimethylethanamine moiety. The overall yield can be around 70-80%, with good selectivity towards the desired product.

What industries use 8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) (CAS: 523-87-5)?

This compound is primarily used in the pharmaceutical industry, where it serves as a precursor in the synthesis of various purine-based drugs. It also has applications in the polymer industry for the development of new materials with specific properties, and in the semiconductor industry for the production of organic electronic devices.

What precautions should be taken when handling 8-Chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) (CAS: 523-87-5)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated environment or under a fume hood to minimize exposure to the compound. Spills should be handled by sweeping into a container, which can then be disposed of according to local regulations. It is advisable to consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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