5-m-Tolyl-2H-pyrazol-3-ylamine

Base Information

• Chemical Name: 5-m-Tolyl-2H-pyrazol-3-ylamine
• CAS No.: 80568-96-3
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• Hs Code.: 2933199090
• European Community (EC) Number: 804-696-4,955-538-7
• DSSTox Substance ID: DTXSID80408621
• Wikidata: Q82214153
• Mol file: 80568-96-3.mol

Synonyms:5-m-Tolyl-2H-pyrazol-3-ylamine;80568-96-3;3-m-tolyl-1h-pyrazol-5-amine;5-(3-methylphenyl)-1H-pyrazol-3-amine;3-Amino-5-(3-methylphenyl)-1H-pyrazole;5-Amino-3-(m-tolyl)pyrazole;3-(3-Methylphenyl)-1H-pyrazol-5-amine;MFCD02664271;3-m-Tolyl-1H-pyrazol-5-amine, AldrichCPR;5-m-tolyl-1H-pyrazol-3-amine;3-(m-tolyl)-1H-pyrazol-5-amine;SCHEMBL14726245;AMY1943;DTXSID80408621;AKOS000193899;AKOS015998524;AB12109;SY023458;3-(3-methylphenyl)-1H-pyrazol-5-ylamine;BB 0241885;BB 0259155;CS-0210922;FT-0604330;A19195;W18592;EN300-1150326;AS-871/43475538;Z317042258

Chemical Property of 5-m-Tolyl-2H-pyrazol-3-ylamine

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Melting Point: 86-89°C
• Refractive Index: 1.643
• Boiling Point: 430.24 °C at 760 mmHg
• Flash Point: 243.84 °C
• PSA: 54.70000
• Density: 1.196 g/cm³
• LogP: 2.54850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

5-m-Tolyl-2H-pyrazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=CC(=NN2)N

Technology Process of 5-m-Tolyl-2H-pyrazol-3-ylamine

There total 3 articles about 5-m-Tolyl-2H-pyrazol-3-ylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(3-methylbenzoyl)acetonitrile (53882-81-8) → 5-m-tolyl-2H-pyrazol-3-ylamine (80568-96-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating;

DOI:10.1016/j.bmc.2006.07.023

Reference yield:

1-methoxycarbonyl-3-methylbenzene (99-36-5) → 5-m-tolyl-2H-pyrazol-3-ylamine (80568-96-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropylamide / tetrahydrofuran / -78 °C

1.2: tetrahydrofuran / -78 - 20 °C

2.1: hydrazine monohydrate / ethanol / 5 h / Heating

With hydrazine hydrate; lithium diisopropyl amide; In tetrahydrofuran; ethanol;

DOI:10.1016/j.bmc.2006.07.023

Reference yield:

→ 5-(3-methylphenyl)-1H-pyrazol-3-amine (80568-96-3)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; Inert atmosphere;

upstream raw materials:

(3-methylbenzoyl)acetonitrile

1-methoxycarbonyl-3-methylbenzene

Downstream raw materials:

C₂₂H₁₉Cl₂N₃O₂

Refernces

• 1、 Lim, Felicia Phei Lin,Luna, Giuseppe,Dolzhenko, Anton V.. "A new, one-pot, multicomponent synthesis of 5-aza-9-deaza-adenines under microwave irradiation". . p. 5159 - 5163. Retrieved 2014/12/10.