4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

158078-04-7

Molecular Formula

C14H16ClN3O4

Molecular Weight

325.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

513.5±50.0 °C(Predicted)

Density

1.68±0.1 g/cm3(Predicted)

SMILES

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OC[C@H]1O[C@@H](N2C=CC3=C(Cl)N=CN=C32)[C@@]4([H])[C@]1([H])OC(C)(C)O4

InChI

InChI=1S/C14H16ClN3O4/c1-14(2)21-9-8(5-19)20-13(10(9)22-14)18-4-3-7-11(15)16-6-17-12(7)18/h3-4,6,8-10,13,19H,5H2,1-2H3/t8-,9-,10-,13-/m1/s1

InChIKey

POIWYPNJASWVSL-VWMGYNLJSA-N

LogP

1.4944999999999997

pKa

14.14±0.10(Predicted)

Topological Polar Surface Area

78.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

440

Synonyms & References

English

[(3aR,4R,6R,6aR)-6-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol
4-Chloro-7-(2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
4-?chloro-?7-?[2,?3-?O-?(1-?methylethylidene)?-?β-?D-?ribofuranosyl]?-7H-?Pyrrolo[2,?3-?d]?pyrimidine
((3aR,4R,6R,6aR)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
((3aR,4R,6R,6aR)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol(WXC06289)
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[2,3-O-(1-methylethylidene)-beta-D-ribofuranosyl]-
POIWYPNJASWVSL-VWMGYNLJSA-N
[(3aR,4R,6R,6aR)-6-(4-Chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol
CID 86654222

MDL Number

MFCD30187909

FAQ

What regulatory guidelines apply to 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7)?

4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and may require registration with the U.S. FDA and EPA. Specific requirements include proper labeling, storage, and handling to avoid hazards such as fire, reactivity, and health risks.

Are there alternatives to 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7) in synthesis?

In the synthesis of 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7), common alternatives include using different sugar derivatives or modifying the chloro group. Other reagents and methods, such as using unprotected ribose or other pyrimidine derivatives, can serve as effective substitutes depending on the specific application and desired properties of the final product.

What is the market or research trend for 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7)?

The market for 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7) is currently focused on its applications in pharmaceutical research, particularly in the development of antiviral and antifungal drugs. Research trends indicate growing interest in its potential as a therapeutic agent, with ongoing studies exploring its efficacy and safety in clinical trials.

How should waste containing 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7) be handled?

Waste containing 4-Chloro-7-(2,3-O-isopropylidene-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS: 158078-04-7) should be collected in properly labeled, sealed containers and disposed of through a hazardous waste management facility. Incineration is a common method of disposal, provided it is done in a controlled and compliant manner. Environmental protection measures include ensuring no waste reaches waterways or soil, and following all local and national regulations for hazardous waste disposal.