(2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentanone

Basic Information

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CAS Number

142217-79-6

Molecular Formula

C52H47N5O5

Molecular Weight

821.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.23

Refractive Index

1.645

SMILES

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COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7=O)COCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C52H47N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+/m1/s1

InChIKey

JBDUMGNQMZHOMS-QZVMJXQOSA-N

LogP

9.750199999999998

Topological Polar Surface Area

109.62 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

1320

Synonyms & References

English

A11455
142217-79-6
(2R,3S,5S)-3-(BENZYLOXY)-5-[2-[[(4-METHOXYPHENYL)DIPHENYLMETHYL]AMINO]-6-(BENZYLOXY)-9H-PURIN-9-YL]-2-(BENZYLOXYMETHYL)CYCLOPENTANONE
(2R,3S,5S)-3-(Benzyloxy)-5-(2-(((4-methoxyphenyl)diphenylmethyl)amino)-6-(benzyloxy)-9H-purin-9-yl)-2-(benzyloxymethyl)cyclopentanone
(2R,3S,5S)-3-(Benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone
(2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
SCHEMBL8781121
AC-5921
CS-0165038
(2R,3S,5S)-3-(benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone? (Entecavir Impurity pound(c)
Entecavir Impurity 2
Cyclopentanone, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3S,5S)-
AKOS016006312
(2R,3S,5S)-3-(Benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)-amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone
(2R,3S,5S)-3-(Benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)-amino)-9H-purin-9-yl)-2-((benzyloxy)methyl)cyclopentanone (>85%)
(2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentan-1-one
DTXSID60678507
(2R,3S,5S)-3-(Benzyloxy)-5-(6-(benzyloxy)-2-(((4-methoxyphenyl)diphenylmethyl)-amino)-9H-purin-9-yl)-2-((benzyloxy)meth...
(2R,3S,5S)-3-(BENZYLOXY)-5-(6-(BENZYLOXY)-2-((4-METHOXYPHENYL) DIPHENYLMETHYLAMINO)-9H-PURIN-9-YL)-2-(BENZYLOXYMETHYL)C...
(2R,3S,5S)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]Cyclopentanone
Cyclopentanone,5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,[2R-(2a,3b,5a)]- (9CI)
Entecavir Impurity

MDL Number

MFCD13185974

FAQ

What are the physical and chemical properties of (2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentanone (CAS: 142217-79-6)?

This compound is a crystalline solid with a high molecular weight, exhibiting low solubility in water but good solubility in organic solvents. It displays low reactivity under normal conditions, but can undergo hydrolysis under acidic or basic conditions. Its physical and chemical stability make it suitable for use in pharmaceutical and bioanalytical applications.

How is (2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentanone (CAS: 142217-79-6) typically synthesized?

This compound can be synthesized via a multi-step process involving the protection of a purine ring with a benzyl group, followed by alkylation, amide formation, and subsequent deprotection. Common catalysts include triphenylphosphine and other Lewis bases, with yields typically ranging from 50-70%.

What industries use (2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentanone (CAS: 142217-79-6)?

This compound is primarily used in the pharmaceutical industry for the development of novel therapeutic agents, particularly in the treatment of diseases such as cancer and viral infections. It is also explored in biotechnology and materials science for applications in sensors and semiconductors.

What precautions should be taken when handling (2R,3S,5S)-3-(Benzyloxy)-5-[6-(benzyloxy)-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-9H-purin-9-yl]-2-[(benzyloxy)methyl]cyclopentanone (CAS: 142217-79-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. In the event of a spill, immediately clean up with appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.