5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one

Basic Information

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CAS Number

135352-71-5

Molecular Formula

C6H4IN3O

Molecular Weight

261.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

539.8℃ at 760 mmHg

SMILES

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C1=C(C2=C(N1)N=CNC2=O)I

InChI

InChI=1S/C6H4IN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11)

InChIKey

QHYIUMOXLCMESH-UHFFFAOYSA-N

LogP

0.8558000000000001

Topological Polar Surface Area

61.54 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

218

Synonyms & References

English

5-Iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
5-iodo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
5-Iodo-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
5-IODO-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
3,7-Dihydro-5-iodo-4H-pyrrolo[2,3-d]pyrimidin-4-one
3,7-DIHYDRO-5-IODO-4-OXO-4H-PYRROLO[2,3-D]PYRIMIDINE
4-hydroxy- 5-iodopyrrolo[2,3-d]pyrimidine
ANW-59651
CTK8B8202
SureCN7887899
SureCN7887902
5-iodo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
QHYIUMOXLCMESH-UHFFFAOYSA-N
RP06333
FCH1324177
OR17053
BL002782
AX8211306
DB-349999
AKOS016003783
5-Iodo-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
SCHEMBL7887899
AMY7020
SCHEMBL15519347
PS-3937
135352-71-5
W-205465
DTXSID20447357
C6H4IN3O
CS-0041346
SY041740

MDL Number

MFCD09746273

FAQ

What are the physical and chemical properties of 5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one (CAS: 135352-71-5)?

5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one is a crystalline solid with a molecular weight of approximately 263.04 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like acetonitrile. The compound is moderately reactive, particularly towards nucleophiles, and exhibits good stability under normal conditions.

How is 5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one (CAS: 135352-71-5) typically synthesized?

5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one is commonly synthesized through the iodination of 3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one using sodium iodide in the presence of an appropriate base such as sodium hydride. The reaction yields the desired product in good to excellent purity and selectivity.

What industries use 5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one (CAS: 135352-71-5)?

5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one is used in the pharmaceutical industry for the development of certain drug candidates, particularly in the area of antiviral and antitumor agents. It also has potential applications in the chemical industry for the synthesis of other organic compounds.

What precautions should be taken when handling 5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one (CAS: 135352-71-5)?

When handling 5-Iodo-3H-pyrrolo[2,3-D]pyrimidin-4(7H)-one, it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles to protect against skin and eye contact. The compound should be stored in a dry, cool place, away from sources of heat and ignition. Spills should be cleaned up carefully, following the safety data sheet (SDS) guidelines, and the area should be well-ventilated.