ChemicalBook--->CAS DataBase List--->1131-18-6

1131-18-6

1131-18-6 Structure

1131-18-6 Structure
IdentificationMore
[Name]

5-Amino-3-methyl-1-phenylpyrazole
[CAS]

1131-18-6
[Synonyms]

1-PHENYL-3-METHYL-5-AMINOPYRAZOL
1-PHENYL-3-METHYL-5-AMINO PYRAZOLE
3-METHYL-1-PHENYL-1H-PYRAZOL-5-AMINE
3-METHYL-1-PHENYLPYRAZOL-5-YLAMINE
5-AMINO-3-METHYL-1-PHENYLPYRAZOLE
5-METHYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE
AKOS B023009
ART-CHEM-BB B023009
BUTTPARK 30\03-90
TIMTEC-BB SBB003817
1H-Pyrazole-5-amine, 3-methyl-1-phenyl-
3-methyl-1-phenyl-1h-pyrazol-5-amin
3-methyl-1-phenyl-1h-pyrazole-5-amin
5-amino-3-methyl-1-phenyl-pyrazol
Pyrazole, 5-amino-3-methyl-1-phenyl-
3-methyl-1-pheny-1H-pyrazol-5-amine
5-AMINO-3-METHYL-PHENYLPYRAZOLE
5-Amino-3-methyl-1-phenyl-1H-pyrazole
5-Amino-3-methyl-1-phenylpyrazole ,98%
1-Phenyl-3-methyl-5-amino-1H-pyrazole
[EINECS(EC#)]

214-463-3
[Molecular Formula]

C10H11N3
[MDL Number]

MFCD00020727
[Molecular Weight]

173.21
[MOL File]

1131-18-6.mol
Chemical PropertiesBack Directory
[Melting point ]

114-117 °C (lit.)
[Boiling point ]

333 °C
[density ]

1.2894 (rough estimate)
[vapor pressure ]

0.006Pa at 25℃
[refractive index ]

1.6250 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Solid
[pka]

3.88±0.10(Predicted)
[color ]

Yellow to pale brown
[Water Solubility ]

6.051g/L at 25℃
[Detection Methods]

HPLC
[InChI]

InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
[InChIKey]

FMKMKBLHMONXJM-UHFFFAOYSA-N
[SMILES]

N1(C2=CC=CC=C2)C(N)=CC(C)=N1
[LogP]

1.76
[CAS DataBase Reference]

1131-18-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrazol-5-amine, 3-methyl-1-phenyl-(1131-18-6)
[EPA Substance Registry System]

1131-18-6(EPA Substance)
Questions And AnswerBack Directory
[Uses]

3-methyl-1-phenyl-1H-pyrazol-5-amine is a useful research chemical.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

UQ4990000
[Hazard Note ]

Harmful
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29331990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,oral,1300mg/kg (1300mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS",Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 03FEB1981,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

TIMTEC-BB SBB002655-->3-Aminocrotononitrile-->Phenylhydrazine-->3-iminobutyronitrile-->Hydrochloric acid-->Sodium hydroxide
[Preparation Products]

Acid Yellow 49-->5-Chloro-3-methyl-1-phenylpyrazole-->sulfapyrazole-->Disperse Orange 56-->Acid Yellow 49-->Direct Red 180-->CHEMBRDG-BB 4023569
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder
[General Description]

5-Amino-3-methyl-1-phenylpyrazole is an aminopyrazole derivative. It reacts with 6-methyl-4-oxo-4H-[1]-benzopyran-3-carboxaldehyde to yield 5-(2-hydroxy-5-methylbenzoyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine and 2-methoxy-6-methyl-3-(3-methyl-1-phenylpyrazol-5-ylaminomethylene)chroman-4-one.
[Flammability and Explosibility]

Notclassified
[Synthesis]

3-Aminocrotononitrile

1118-61-2

Phenylhydrazine

100-63-0

5-Amino-3-methyl-1-phenylpyrazole

1131-18-6

In a 2-5 mL microwave reaction tube equipped with a stirrer, 3-aminobut-2-enenenitrile (164 mg, 2 mmol) was mixed with 5 mL of 1 M hydrochloric acid solution and stirred until completely dissolved to make a 0.4 M solution of the feedstock. Subsequently, phenylhydrazine (216 mg, 2 mmol) was added to this solution. The reaction tube was sealed with an aluminum cap and placed in a microwave reactor and irradiated at 150 °C for 10 min at a 'very high' absorbance setting. After completion of the reaction, it was cooled to room temperature to obtain a non-homogeneous solution containing an orange precipitate. The pH was adjusted to alkaline with 10% sodium hydroxide solution and sonicated for 5 min to promote solid precipitate formation. The precipitate was collected by filtration, washed twice with deionized water and dried to obtain a light orange solid product (292 mg, 84% yield). For products that do not precipitate easily, the basic aqueous layer can be extracted three times with dichloromethane (DCM) to separate the product. The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give the target compound.

[References]

[1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 42, p. 7806 - 7810
[2] Tetrahedron Letters, 2019, vol. 60, # 1, p. 72 - 74
[3] Chemistry of Heterocyclic Compounds, 2018, vol. 54, # 1, p. 51 - 57
[4] Khim. Geterotsikl. Soedin., 2018, vol. 54, # 1, p. 51 - 57,7
[5] Journal of Organic Chemistry, 1993, vol. 58, # 22, p. 6155 - 6157
Spectrum DetailBack Directory
[Spectrum Detail]

5-Amino-3-methyl-1-phenylpyrazole(1131-18-6)MS
5-Amino-3-methyl-1-phenylpyrazole(1131-18-6)1HNMR
5-Amino-3-methyl-1-phenylpyrazole(1131-18-6)13CNMR
5-Amino-3-methyl-1-phenylpyrazole(1131-18-6)IR1
5-Amino-3-methyl-1-phenylpyrazole(1131-18-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1131-18-6(sigmaaldrich)
[TCI AMERICA]

5-Amino-3-methyl-1-phenylpyrazole,>98.0%(T)(1131-18-6)
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