2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate | CAS No. 9003-97-8

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

Basic Information

CAS Number

9003-97-8

Molecular Formula

C19H21ClN4O5

Molecular Weight

420.85 g/mol

EINECS

1308068-626-2

AD

Basic Physical Properties

Solubility

Polycarbophil polymers do not dissolve in water but can swell in water to around 1000 times their original volume (and ten times their original diameter) to form gels when exposed to a pH environment above 4–6. Since the pKa of these polymers is 6.0±0.5, the carboxylate groups on the polymer backbone ionize, resulting in electrostatic repulsion between the negative particles, which extends the molecule, adding to the swelling of the polymer.

CC(C)(C(=O)OCCn1cnc2c1c(=O)n(c(=O)n2C)C)Oc3ccc(cc3)Cl

InChI

InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3

InChIKey

KYAKGJDISSNVPZ-UHFFFAOYSA-N

LogP

1.4878999999999998

Topological Polar Surface Area

97.35000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 9

Synonyms & References

English

  • Polycarbophil
  • CARBOPOLEX55
  • Carbofil
  • Policarbofila
  • polycarbophil calcium
  • CALCIUM POLYCARBOPHIL
  • Policarbofila [inn-spanish]
  • Polyacrylic acid calcium salt cross-linked with divinyl glycol
  • Calcium polycarbophil
  • CALCIUM POLYCARBOPHIL, USP 30

EC Number

1308068-626-2

FAQ

What are the physical and chemical properties of 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 9003-97-8)?

This compound has a crystalline form with a molecular weight of approximately 482.2 g/mol. It is moderately soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong bases. It is used in various applications due to its unique chemical properties.

How is 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 9003-97-8) typically synthesized?

This compound is synthesized via a multi-step process involving the coupling of a purine derivative with an acyl chloride. The reaction is catalyzed by a suitable base and proceeds under mild conditions, yielding a high purity product with good selectivity and yield. The specific conditions and reagents used may vary depending on the process conditions chosen.

What industries use 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 9003-97-8)?

This compound is primarily used in the pharmaceutical industry for the development of new drugs. It is also explored in the field of sensors for its potential analytical applications. Additionally, it may have potential uses in the polymer industry for specific applications requiring its chemical properties.

What precautions should be taken when handling 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate (CAS: 9003-97-8)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using an appropriate solvent, and the area should be well-ventilated. For detailed safety information, consult the Safety Data Sheet (SDS) for this compound.

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