({[1-(6-Amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid | CAS No. 107021-12-5

({[1-(6-Amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid

Basic Information

CAS Number

107021-12-5

Molecular Formula

C9H14N5O4P

Molecular Weight

287.22 g/mol

AD

Basic Physical Properties

CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)

InChIKey

SGOIRFVFHAKUTI-UHFFFAOYSA-N

LogP

-0.051200000000000134

Topological Polar Surface Area

136.38000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

354

Synonyms & References

English

  • MFCD07357269
  • ({[1-(6-amino-9h-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid
  • 107021-12-5
  • 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid
  • EN300-26492613
  • FT-0696939
  • AKOS015961830
  • Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-
  • CHEMBL315593
  • SY046605
  • VQB71994
  • 1217720-14-3
  • Tenofovir-d6 (propyl-d6)
  • SCHEMBL497725
  • 9-[2-(phosphonomethoxy)propyl]adenine
  • BCP02416
  • MLS006011450
  • (R)-9-(2-Phosphonoylmethoxypropyl)adenine
  • Tenofovir (parent)
  • A851347
  • (R)-[[(1-(6-Amino-9-purinyl)-2-propyl)oxy]methyl]phosphonic Acid
  • (S)-[[[1-(6-Amino-9H-purin-9-yl)-2-propyl]oxy]methyl]phosphonic Acid
  • SY115900
  • 9-(2-Phosphonomethoxypropyl)adenine
  • SMR004703253
  • Apropovir
  • (((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
  • FT-0674851
  • MFCD21604708
  • DTXSID30861388
  • Tenofovir-d6

MDL Number

MFCD18641831

FAQ

What are the physical and chemical properties of ({[1-(6-Amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5)?

({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5) is a crystalline compound with a molecular weight of approximately 452.22 g/mol. It has a solubility in water of about 50 mg/mL at 25°C. The compound is reactive, particularly towards nucleophilic substitution reactions. It is stable under neutral and slightly acidic conditions but can be hydrolyzed under basic conditions.

How is ({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5) typically synthesized?

({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5) can be synthesized via a multi-step process involving the formation of a phosphonate ester followed by a nucleophilic substitution. Commonly, a phosphonic acid precursor reacts with a 2-propanol derivative in the presence of a base such as sodium hydride. The synthesis typically yields a 70-80% isolated yield with high selectivity.

What industries use ({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5)?

({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5) finds applications in the pharmaceutical industry due to its potential as a drug candidate. It is also used in the development of sensors and in the synthesis of certain polymers. Its unique structure makes it suitable for use in semiconductors and other advanced materials.

What precautions should be taken when handling ({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5)?

When handling ({[1-(6-Amino-9H-purin-9-yl)-2-Propanyl]oxy}methyl)phosphonic acid (CAS: 107021-12-5), it is essential to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be carefully cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific disposal and emergency procedures.

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