2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one | CAS No. 701278-07-1

2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one

Basic Information

CAS Number

701278-07-1

Molecular Formula

C20H25N5O2Si

Molecular Weight

395.54 g/mol

AD

Basic Physical Properties

Density

1.34

C[Si](C)(C1CC(C(=C)C1CO)N2C=NC3=C2N=C(NC3=O)N)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2Si/c1-12-14(10-26)16(28(2,3)13-7-5-4-6-8-13)9-15(12)25-11-22-17-18(25)23-20(21)24-19(17)27/h4-8,11,14-16,26H,1,9-10H2,2-3H3,(H3,21,23,24,27)/t14-,15-,16-/m0/s1

InChIKey

UFYJQSNORIUZKS-JYJNAYRXSA-N

LogP

1.7970999999999995

Topological Polar Surface Area

109.81999999999998 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

676

Synonyms & References

English

  • 2-Amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one
  • AKOS015895502
  • 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3,9-dihydro-6H-purin-6-one
  • DTXSID70659605
  • 2-Amino-9-((1S,3R,4S)-4-(dimethyl(phenyl)silyl)-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
  • 701278-07-1
  • 2-amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one
  • 2-AMINO-9-[(1S,3R,4S)-4-[DIMETHYL(PHENYL)SILYL]-3-(HYDROXYMETHYL)-2-METHYLIDENECYCLOPENTYL]-1H-PURIN-6-ONE
  • 4-Dehydroxy-4-dimethylphenylsilyl Entecavir
  • 6H-Purin-6-one, 2-amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-
  • 6H-Purin-6-one,2-amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro
  • I06-1194

MDL Number

MFCD12755986

FAQ

What are the physical and chemical properties of 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 701278-07-1)?

2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one is a crystalline compound with a molecular weight of approximately 603.57 g/mol. It is soluble in organic solvents such as dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is reactive under basic conditions but stable under acidic conditions. It can form complexes with metal ions and is used in various chemical reactions due to its amine and purine functionalities.

How is 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 701278-07-1) typically synthesized?

2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one is typically synthesized via multistep reactions involving the condensation of a purine derivative with a cyclic amine. The synthesis often employs catalytic conditions using palladium or copper catalysts. The yield is typically around 70-80%, depending on the optimization of reaction conditions and purification steps.

What industries use 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 701278-07-1)?

2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one is primarily used in the pharmaceutical industry for its potential as a drug intermediate. It can also be used in the production of sensors and semiconductors due to its functional groups, which can be further modified for specific applications.

What precautions should be taken when handling 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one (CAS: 701278-07-1)?

When handling 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed down with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.

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