1-Phenyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 1-Phenyl-1H-pyrazol-3-amine
• CAS No.: 1128-56-9
• Molecular Formula: C9H9N3
• Molecular Weight: 159.191
• Hs Code.: 2933199090
• European Community (EC) Number: 858-077-9
• DSSTox Substance ID: DTXSID00344077
• Nikkaji Number: J277.066K
• Wikidata: Q72501259
• Mol file: 1128-56-9.mol

Synonyms:1-Phenyl-1H-pyrazol-3-amine;1128-56-9;1-Phenyl-1H-pyrazol-3-ylamine;1-phenylpyrazol-3-amine;1-Phenyl-3-aminopyrazole;1-phenyl-1H-pyrazole-3-amine;1H-Pyrazol-3-amine, 1-phenyl-;5-amino-2-phenylpyrazole;ChemDiv2_003498;EC-000.1626;1-phenyl-3-amino-pyrazole;3-amino-1-phenyl-pyrazole;Oprea1_342748;Oprea1_857226;SCHEMBL631878;DTXSID00344077;HMS1378O22;BBL104243;MFCD00100520;STK002359;AKOS000558786;MFCD001005200;AC-22864;BS-13629;AM20020215;CS-0060554;FT-0690085;EN300-28590;F17287;A846979;SR-01000520082;J-002854;SR-01000520082-1;F1918-0072;Z271098778;N-(2,5-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

Chemical Property of 1-Phenyl-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.000267mmHg at 25°C
• Melting Point: 101 °C
• Refractive Index: 1.641
• Boiling Point: 323.2 °C at 760 mmHg
• PKA: 3.66±0.10(Predicted)
• Flash Point: 149.2 °C
• PSA: 43.84000
• Density: 1.2 g/cm³
• LogP: 2.03570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

1-Phenyl-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=CC(=N2)N

Technology Process of 1-Phenyl-1H-pyrazol-3-amine

There total 23 articles about 1-Phenyl-1H-pyrazol-3-amine 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: 94.0%

trans-β-chloroacrylonitrile (871-29-4,3721-37-7,3721-38-8) + phenylhydrazine (100-63-0) → 3-amino-1-phenylpyrazole (1128-56-9)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; for 3h; Heating;

Reference yield: 85.0%

3-methoxy-2-propenenitrile (60838-50-8) + phenylhydrazine hydrochloride (59-88-1) → 3-amino-1-phenylpyrazole (1128-56-9)

Guidance literature:

With sodium ethanolate; In ethanol; at 150 ℃; for 2h; Sealed tube; Microwave irradiation;

DOI:10.1016/j.tet.2013.07.055

Reference yield: 82.0%

iodobenzene (591-50-4) + 3-aminopyrazole (1820-80-0,916420-28-5) → 3-amino-1-phenylpyrazole (1128-56-9)

Guidance literature:

With caesium carbonate; copper(I) bromide; In N,N-dimethyl-formamide; at 190 ℃; for 0.333333h; under 3750.38 - 5250.53 Torr; Microwave irradiation;

DOI:10.5012/bkcs.2012.33.6.2067

upstream raw materials:

3-Amino-1-phenyl-2-pyrazoline

(1-phenyl-1H-pyrazol-3-yl)-carbamic acid ethyl ester

trans-β-chloroacrylonitrile

phenylhydrazine

Downstream raw materials:

3-(1-phenylpyrazole-3-yl)amino-1-phenyl-5-methylpyrazole

N-(1-phenylpyrazole-3-yl)-N-(1-phenyl-1H-indazole-3-yl)-4-t-butylaniline

N-(1-phenylpyrazole-3-yl)-4-t-butylaniline

N-(1-phenylpyrazol-3-yl)-N-(1-phenethyl-4-piperidyl)amine