5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine

Basic Information

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CAS Number

81352-25-2

Molecular Formula

C31H31N5O6

Molecular Weight

569.62 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

Melting Point

145-147 ºC

Density

1.40±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.7E-4 g/L) (25 ºC),

SMILES

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COC1=CC=C(C=C1)C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)(C1=CC=CC=C1)C1=CC=C(OC)C=C1

InChI

InChI=1S/C31H31N5O6/c1-39-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(40-2)15-11-21)41-16-24-26(37)27(38)30(42-24)36-18-35-25-28(32)33-17-34-29(25)36/h3-15,17-18,24,26-27,30,37-38H,16H2,1-2H3,(H2,32,33,34)/t24-,26-,27-,30-/m1/s1

InChIKey

KOQFCLKBHJBRTB-BQOYKFDPSA-N

LogP

3.053600000000001

Topological Polar Surface Area

147.0 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Synonyms & References

English

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-adenosine
5'-O-(4,4'-DIMETHOXYTRITYL)ADENOSINE
5'-O-DMT-ADENOSINE

MDL Number

MFCD00057878

FAQ

What are the physical and chemical properties of 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2)?

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2) is a crystalline solid with a molecular weight of approximately 717.46 g/mol. It has low water solubility and moderate solubility in organic solvents like dimethyl sulfoxide (DMSO). The compound exhibits moderate chemical reactivity, particularly towards nucleophilic attack on the adenosine moiety. It is stable under normal laboratory conditions but may degrade under extreme pH or high temperature conditions.

How is 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2) typically synthesized?

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2) is typically synthesized through a multi-step reaction involving the protection of the adenosine base, followed by coupling with the bis(4-methoxyphenyl)phenylmethyl group. Commonly used catalysts include triphenylphosphine and diisopropylcarbamoyl chloride. The reaction is conducted under anhydrous conditions to ensure high yield and selectivity.

What industries use 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2)?

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2) is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in the polymer industry for its stability and reactivity, as well as in sensor and semiconductor technologies where its molecular structure can be utilized.

What precautions should be taken when handling 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2)?

When handling 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]adenosine (CAS: 81352-25-2), it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place, and efforts should be made to avoid contact with water or moisture. In case of spillage, it should be cleaned up immediately and handled according to the safety data sheet (SDS).