2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one

Basic Information

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CAS Number

142217-81-0

Molecular Formula

C26H27N5O3

Molecular Weight

457.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.34

SMILES

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C=C1C(CC(C1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N

InChI

InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1

InChIKey

KROVOOOAPHSWCR-FKBYEOEOSA-N

LogP

3.621200000000001

Topological Polar Surface Area

108.05 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

762

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3',5'-Di-O-benzyl Entecavir
2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
2-Amino-1,9-dihydro-9-(4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one, (1S,3R,4S)-
AKOS025402354
AM84385
IEC6P1L62X
Q27280683
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-((phenylmethoxy)methyl)cyclopentyl)-
UNII-IEC6P1L62X
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-; 3',5'-Di-O-Benzyl Entecavir; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-, [1S-(1alpha,3alpha,4beta)]-
W-205570
2-Amino-1,9-dihydro-9-((1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one
C26H27N5O3
MFCD11977291
DS-18052
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-
142217-81-0
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
AC-8329
AKOS015896700
3',5'-Di-O-Benzylentecavir
C72661
Entecavir-9
SCHEMBL8781248
2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)-methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-purin-6-one
CS-0158057
2-amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
2-amino-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-1h-purin-6(9h)-one
2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-6h-purin-6-one

MDL Number

MFCD11977291

Customs Code

29335990

FAQ

What is 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0)?

2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one is a purine derivative with a complex structure. It is a white to off-white solid with a molecular formula of C29H33N5O6 and a molecular weight of approximately 543.63 g/mol.

What are the main uses of 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0)?

This compound is primarily used as an intermediate in the synthesis of other pharmaceuticals, particularly in the development of antiviral and antibiotic drugs. It is also used in research for its unique chemical properties.

Is 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0) safe?

This compound is generally safe when handled with appropriate precautions. It is not considered toxic, but it should be stored away from moisture and heat. Wear gloves and protective eyewear when handling. Ensure adequate ventilation. Follow all safety guidelines and use in a well-ventilated area.

How should 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0) be stored?

Store this compound in a cool, dry place at room temperature (15-25°C). Keep it away from direct sunlight and moisture. Use a tightly sealed container to prevent degradation. Avoid contact with incompatible materials such as acids, bases, and oxidizers.

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2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one | CAS No. 142217-81-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Density

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

Customs Code

FAQ

What is 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0)?

What are the main uses of 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0)?

Is 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0) safe?

How should 2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one (CAS: 142217-81-0) be stored?

Related Compounds

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