4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

35808-68-5

Molecular Formula

C7H6ClN3

Molecular Weight

167.6 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

292.2±50.0 ºC (760 Torr),

Flash Point

130.5±30.1 ºC,

SMILES

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CC1=CC2=C(N1)N=CN=C2Cl

InChI

InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)

InChIKey

PGQJBJDESGAJSO-UHFFFAOYSA-N

LogP

1.9197199999999996

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

153

Synonyms & References

English

35808-68-5
FT-0733644
SCHEMBL514788
Z1255379822
NSC-344519
DTXSID70319378
DS-10860
4-Chloro-6--methyl-7H-pyrrolo[2,3-d]pyrimidine
J-515116
EN300-746606
7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-6-methyl-
MFCD09033903
SY011872
CS-W009106
A822984
AKOS015850489
4-Chloro-6-methyl-7H-pyrrolo[2 pound not3-d]pyrimidine
4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
PB11889
NSC344519
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-
AM20090565
4-Chloro-6-methyl-7H-Pvrrolo[2,3-d]pyrimidine
PGQJBJDESGAJSO-UHFFFAOYSA-N
4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-
AC1L7HEY
ANW-51148
CTK1C6460
FCH1142342
OR301210

MDL Number

MFCD09033903

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5)?

4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5) is a crystalline solid with a molecular weight of approximately 221.62 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound shows moderate reactivity and is susceptible to hydrolysis in the presence of water and acidic or basic conditions.

How is 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5) typically synthesized?

4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5) can be synthesized via a multi-step procedure. It usually involves the condensation of 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbaldehyde with chloroacetaldehyde under basic conditions. The reaction is catalyzed by sodium hydroxide, and the product is isolated and purified through recrystallization.

What industries use 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5)?

4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5) is primarily used in the pharmaceutical industry for the synthesis of drugs. It is also applied in the polymer industry for the development of functional polymers with specific properties. Additionally, it has potential applications in the production of sensors and semiconductors.

What precautions should be taken when handling 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5)?

When handling 4-Chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 35808-68-5), safety precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from sources of heat and ignition. Fume hoods should be used during handling to minimize exposure. In case of a spill, it should be immediately cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information.