3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine

Basic Information

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CAS Number

91331-68-9

Molecular Formula

C11H13N3

Molecular Weight

187.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

85-89 °C

Boiling Point

354.1°Cat760mmHg

Density

1.14

Flash Point

168°C

Refractive Index

1.611

SMILES

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CC1=CC=CC=C1N2C(=CC(=N2)C)N

InChI

InChI=1S/C11H13N3/c1-8-5-3-4-6-10(8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3

InChIKey

KZPZKAVOPDSURE-UHFFFAOYSA-N

LogP

2.07134

Topological Polar Surface Area

43.839999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

195

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-METHYL-1-(2-METHYLPHENYL)-1H-PYRAZOL-&
5-methyl-2-(2-methylphenyl)pyrazol-3-amine
CS-0220604
EN300-07036
SR-01000422943-1
SMR000348074
DTXSID80354533
3-Methyl-1-(o-tolyl)-1H-pyrazol-5-amine
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine, 98%
AKOS000200484
SR-01000422943
3-Methyl-1-o-tolyl-1H-pyrazol-5-amine
91331-68-9
KZPZKAVOPDSURE-UHFFFAOYSA-N
HMS2670P11
MLS001004508
SCHEMBL1143383
EU-0003881
Z55148814
MFCD01605712
CHEMBL1381572
SCHEMBL10949906
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
1H-Pyrazol-5-amine,3-methyl-1-(2-methylphenyl)-
3-METHYL-1-(2-METHYLPHENYL)-1H-PYRAZOL-5-AMINE
C11H13N3
3-methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine(SALTDATA: FREE)

MDL Number

MFCD01605712

FAQ

What are the physical and chemical properties of 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (CAS: 91331-68-9)?

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine is a white crystalline solid with a molecular weight of approximately 213.24 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. This compound is known for its strong reactivity, particularly towards nucleophiles and electrophiles. It is also prone to hydrolysis under acidic conditions.

How is 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (CAS: 91331-68-9) typically synthesized?

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine is synthesized via a multi-step reaction involving the coupling of 2-methylphenylamine with 3-formylpyrazole. The reaction typically proceeds in the presence of a suitable catalyst, such as a palladium complex, and requires optimization for selectivity and yield. The product is purified by recrystallization from an appropriate solvent.

What industries use 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (CAS: 91331-68-9)?

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine is primarily used in the pharmaceutical industry for its pharmacological properties, particularly in the development of antifungal and antiviral drugs. It is also utilized in the production of certain polymers and in the fabrication of sensors due to its unique chemical reactivity.

What precautions should be taken when handling 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine (CAS: 91331-68-9)?

When handling 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled with caution using appropriate absorbents, and proper disposal methods should be followed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and guidelines.