2-Pyrazoline, 3-amino-1-phenyl-

Base Information

• Chemical Name: 2-Pyrazoline, 3-amino-1-phenyl-
• CAS No.: 3314-35-0
• Molecular Formula: C9H11 N3
• Molecular Weight: 161.206
• Hs Code.: 2933990090
• European Community (EC) Number: 222-005-9
• NSC Number: 162874
• UNII: KL73ZZ44EZ
• DSSTox Substance ID: DTXSID00186792
• Nikkaji Number: J37.336B
• Wikidata: Q83058185
• Mol file: 3314-35-0.mol

Synonyms:3314-35-0;1-phenyl-4,5-dihydro-1H-pyrazol-3-amine;2-Pyrazoline, 3-amino-1-phenyl-;3-AMINO-4,5-DIHYDRO-1-PHENYLPYRAZOLE;3-Amino-1-phenylpyrazole;1-Phenyl-4,5-dihydro-1H-pyrazol-3-ylamine;3-Amino-1-phenyl-2-pyrazoline;2-phenyl-3,4-dihydropyrazol-5-amine;1-Fenyl-3-aminopyrazolin;Pyrazolidine, 3-imino-1-phenyl-;4,5-Dihydro-1-phenyl-1H-pyrazol-3-amine;NSC 162874;3-Amino-1-fenyl-2-pyrazolin;1-phenyl-3-amino-2-pyrazoline;3-Amino-4,5-dihydro-1H-1-phenylpyrazole;1-Fenyl-3-aminopyrazolin [Czech];1H-Pyrazol-3-amine, 4,5-dihydro-1-phenyl-;EINECS 222-005-9;3-amino-1-phenylpyrazoline;3-Amino-1-fenyl-2-pyrazolin [Czech];KL73ZZ44EZ;1-Fenyl-3-aminopyrazolin [Czech];NSC-162874;NSC162874;UNII-KL73ZZ44EZ;Cambridge id 5100332;TimTec1_004539;1-phenyl-3-pyrazolidone imine;1-Phenyl-2-pyrazolin-3-amine;SCHEMBL7719905;SCHEMBL11624814;WLN: T5NN BUTJ AR& CZ;DTXSID00186792;HMS1546O07;MFCD00051730;STK049557;AKOS000265384;AKOS015894694;AS-64329;1H-Pyrazol-3-amine,5-dihydro-1-phenyl-;LS-128729;3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole;FT-0614962;EN300-18233;AB00073538-01;3-Amino-4,5-dihydro-1H-1-phenylpyrazole, 97%;A821635;SR-01000512661;J-019040;SR-01000512661-1;Z57473788

Chemical Property of 2-Pyrazoline, 3-amino-1-phenyl-

Chemical Property:

• Vapor Pressure: 0.00197mmHg at 25°C
• Melting Point: 168-170°C
• Refractive Index: 1.5330 (estimate)
• Boiling Point: 291.2 °C at 760 mmHg
• Flash Point: 129.9 °C
• PSA: 41.62000
• Density: 1.21 g/cm³
• LogP: 1.36980
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-phenyl-4,5-dihydro-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36-22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(N=C1N)C2=CC=CC=C2

Technology Process of 2-Pyrazoline, 3-amino-1-phenyl-

There total 8 articles about 2-Pyrazoline, 3-amino-1-phenyl- 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: 74.0%

acrylonitrile (107-13-1,25014-41-9) + phenylhydrazine (100-63-0) → 3-Amino-1-phenyl-2-pyrazoline (3314-35-0)

Guidance literature:

With sodium ethanolate; for 2h;

Reference yield: 45.0%

N-cyanoethylaniline (1075-76-9) → 3-Amino-1-phenyl-2-pyrazoline (3314-35-0)

Guidance literature:

N-cyanoethylaniline; With acetic acid; sodium nitrite; In water; at 20 ℃;

With 3-methyl-butan-2-one; acetic acid; zinc; Heating;

With ammonium hydroxide;

DOI:10.1002/jhet.5570410117

Reference yield:

3-(N'-phenyl-hydrazino)-propionitrile (26955-79-3) → 3-Amino-1-phenyl-2-pyrazoline (3314-35-0)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

acrylonitrile

phenylhydrazine

3-(ethoxy)propionitrile

3-dimethylaminopropiononitrile

Downstream raw materials:

3-Benzylidenamino-1-phenyl-Δ²-pyrazolin

3-amino-1-phenylpyrazole

1-phenylpyrazolidin-3-one

N,N-dimethyl-N'-(1-phenyl-2-pyrazolin-3-yl)formamidine

Refernces

• 1、 Smith, Richard F.,Olson, Laurie A.,Ryan, William J.,Coffman, Karen J.,Galante, Julienne M.,et al.. "AMIDRAZONES 9. CONVENIENT SYNTHESIS OF 1-ALKYL-1-PHENYLHYDRAZINES AND α,β-UNSATURATED AMIDRAZONES VIA BASE-PROMOTED REACTIONS OF 1,1-DISUBSTITUTED-3-AMNIO-4,5-DIHYDRO-1H-PYRAZOLIUM SALTS.". . p. 585 - 596. Retrieved 2007/10/02.
• 2、 -. "Therapeutically active 3-amino-1-phenyl(and substituted phenyl)-2-pyrazolines". . . Retrieved 2008/06/13.