Desacetyl Famciclovir (Famciclovir Related Compound B)

Basic Information

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CAS Number

104227-88-5

Molecular Formula

C12H17N5O3

Molecular Weight

279.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

166-168 ºC

SMILES

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CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

InChI

InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)

InChIKey

OUMGIMAEASXOJH-UHFFFAOYSA-N

LogP

-0.029800000000000104

Topological Polar Surface Area

116.15 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

330

Synonyms & References

English

120687-07-2
4-(2-amino-9h-purin-9-yl)-2-(hydroxymethyl)butyl acetate
FT-0665920
9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine
104227-88-5
BRL 43594
MONOACETYL-6-DEOXY PENCICLOVIR
MONO-DESACETYL FAMCICLOVIR
NE5144EK4H
D80603
1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1-acetate; 1,3-Propanediol, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, monoacetate (ester) (9CI); BRL 43594; 2-Amino-9H-purin-9-yl)-2-(hydroxymethyl)butyl acetate; Famciclovir RC B (USP); 9-(4-Acetoxy-3-(hydroxymethyl)butyl)-2-amino-9H-purine
CS-0196471
CHEMBL881
Desacetyl Famciclovir
1,3-Propanediol, 2-(2-(2-amino-9H-purin-9-yl)ethyl)-, 1-acetate
J-001135
2-[2-(2-Amino-9H-purin-9-yl)ethyl]-1,3-propanediol 1-Acetate
9-[4-Acetoxy-3-(hydroxymethyl)butyl]-2-amino-9H-purine
OUMGIMAEASXOJH-UHFFFAOYSA-N
AS-69250
DTXSID60434620
SCHEMBL1878763
2-(2-(2-Amino-9H-purin-9-yl)ethyl)-3-hydroxypropyl acetate
UNII-NE5144EK4H
9-(4-acetoxy-3-hydroxymethylbut-1-yl)-2-aminopurine
[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] Acetate
2-[2-(2-amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate
AKOS030255718
1,3-Propanediol,2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1-acetate
[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate
Famciclovir USP RC B

MDL Number

MFCD08063728

FAQ

What are the physical and chemical properties of Desacetyl Famciclovir (CAS: 104227-88-5)?

Desacetyl Famciclovir is a white to off-white crystalline powder with a molecular weight of approximately 263.27 g/mol. It has a solubility of about 10 mg/mL in water. The compound is slightly reactive towards acidic conditions and sensitive to light. It is soluble in organic solvents such as ethanol and acetone. Desacetyl Famciclovir is a derivative of famciclovir and is used as an intermediate in the synthesis of antiviral drugs.

How is Desacetyl Famciclovir (CAS: 104227-88-5) typically synthesized?

Desacetyl Famciclovir is synthesized by the acetylation of famciclovir followed by deacetylation at a specific position. The synthesis typically involves the use of acetic anhydride and a catalyst such as pyridine. The final step involves hydrolysis to remove the acetyl group, yielding Desacetyl Famciclovir with a high yield and good selectivity. This process is carried out under an inert atmosphere to avoid decomposition.

What industries use Desacetyl Famciclovir (CAS: 104227-88-5)?

Desacetyl Famciclovir (CAS: 104227-88-5) is primarily used in the pharmaceutical industry as an intermediate in the production of antiviral drugs. It is also of interest in research and development for potential applications in other fields such as polymer chemistry and material science.

What precautions should be taken when handling Desacetyl Famciclovir (CAS: 104227-88-5)?

When handling Desacetyl Famciclovir (CAS: 104227-88-5), it is important to follow standard laboratory safety practices. Wear personal protective equipment (PPE) including gloves and goggles. Handle in a well-ventilated area or a fume hood to avoid inhalation of dust. If a spill occurs, immediately clean up under a fume hood using appropriate absorbent material. Consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.