4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

Basic Information

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CAS Number

98141-42-5

Molecular Formula

C6H4Cl2N4

Molecular Weight

203.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

284 ºC

Density

1.76

Flash Point

125 ºC

Refractive Index

1.76

SMILES

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CN1C2=C(C=N1)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C6H4Cl2N4/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3

InChIKey

TYMWHTJGWKSXRY-UHFFFAOYSA-N

LogP

1.6700999999999997

Topological Polar Surface Area

43.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

179

Synonyms & References

English

4,6-dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
SY041844
AKOS015830629
FT-0646784
TYMWHTJGWKSXRY-UHFFFAOYSA-N
1H-PYRAZOLO[3,4-D]PYRIMIDINE, 4,6-DICHLORO-1-METHYL-
NSC7866
CS-0051102
EN300-62622
W-204171
BL001027
4,6-dichloro-1-methylpyrazolo[3,4-d]pyrimidine
PB23666
F2064-0050
SCHEMBL55774
98141-42-5
A849247
AM807404
BP-11258
NSC-7866
DTXSID70278517
PS-4744
4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine, AldrichCPR
MFCD09750213
Z979749710
4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-1-methyl-
AB0037790
ST1181172
Y5119

MDL Number

MFCD09750213

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (CAS: 98141-42-5)?

4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine is a white crystalline solid with a molecular weight of approximately 222.03 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and DMSO. The compound is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is 4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (CAS: 98141-42-5) typically synthesized?

4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine is typically synthesized via a multistep process involving the reaction of chloroacetyl chloride with 1-methyl-4-chloropyrazole. The reaction is catalyzed by a suitable acid or base, and it proceeds with good selectivity to yield the target compound in moderate to high yield.

What industries use 4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (CAS: 98141-42-5)?

4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine is primarily used in pharmaceuticals and as an intermediate in the synthesis of various drug candidates. It is also utilized in the development of sensors and as a reagent in organic chemistry research.

What precautions should be taken when handling 4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (CAS: 98141-42-5)?

When handling 4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using an appropriate absorbent material, and the area should be thoroughly washed down. Consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.