(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol

Basic Information

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CAS Number

142217-77-4

Molecular Formula

C32H33N5O4

Molecular Weight

551.65 g/mol

Chemical Classification

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

780.5 °C at 760 mmHg

Density

1.33

Flash Point

425.8 °C

Refractive Index

1.67

SMILES

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C1C(C(C(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)N4C=NC5=C4N=C(N=C5OCC6=CC=CC=C6)N

InChI

InChI=1S/C32H33N5O4/c33-32-35-30-28(31(36-32)41-19-24-14-8-3-9-15-24)34-21-37(30)26-16-27(40-18-23-12-6-2-7-13-23)25(29(26)38)20-39-17-22-10-4-1-5-11-22/h1-15,21,25-27,29,38H,16-20H2,(H2,33,35,36)/t25-,26+,27+,29+/m1/s1

InChIKey

SYPCZZWUNIHLBU-COROXYKFSA-N

LogP

4.711600000000003

Topological Polar Surface Area

117.54 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

775

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

(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
DTXSID90672073
C72659
W-205568
A807869
AC-5919
AKOS015896664
CS-0156210
DS-12112
(1S,2S,3S,5S)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
(1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentan-1-ol
Cyclopentanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2S,3S,5S)-
SCHEMBL2519691
AM84384
(1S,2S,3S,5S)-5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-Cyclopentanol
142217-77-4
C32H33N5O4
(1S,2S,3S,5S)-5-(2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL)-3-(BENZYLOXY)-2- (BENZYLOXYMETHYL)CYCLOPENTANOL
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cydopentanol
Entecavir intermediate N4
Entecavir Intermediate IV
Cyclopentanol,5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,[1S-(1a,2b,3a,5b)]- (9CI)
entecavir-4
AK-3
CYC089
CYC088
RW2435
CE0038
(1S,2S,3S,5S)-5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(p
(1S,2S,3S,5S)-5-[2-amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentan-1-ol

MDL Number

MFCD09750977

FAQ

What are the physical and chemical properties of (1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol (CAS: 142217-77-4)?

This compound has a crystalline form with a high molecular weight due to its complex structure. It has moderate solubility in organic solvents such as ethanol and DMSO. Reactivity is moderate, with potential for hydrogen bonding. Commonly, it is used in pharmaceutical applications.

How is (1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol (CAS: 142217-77-4) typically synthesized?

This compound is synthesized through multistep reactions involving purine derivatives and cyclopentanol. Common methods include Grignard reactions and Suzuki coupling, using catalysts like Pd(0) and ligands. Yields are typically high, around 70-80%, with good regioselectivity.

What industries use (1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol (CAS: 142217-77-4)?

This compound is primarily used in the pharmaceutical industry for developing new drugs. It also has potential applications in polymer science and sensor technology due to its unique chemical structure.

What precautions should be taken when handling (1S,2S,3S,5S)-5-[2-Amino-6-(benzyloxy)-9H-purin-9-yl]-3-(benzyloxy)-2-[(benzyloxy)methyl]cyclopentanol (CAS: 142217-77-4)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coats is essential. Work should be conducted in a fume hood to minimize exposure. Spills should be handled carefully, collected, and disposed of according to safety data sheets (SDS). Ensure good ventilation and follow all safety guidelines in the laboratory.