3-Methyl-1-phenyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-Methyl-1-phenyl-1H-pyrazol-5-amine
• CAS No.: 1131-18-6
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• Hs Code.: 29331990
• European Community (EC) Number: 214-463-3
• UNII: X6087GEB2P
• DSSTox Substance ID: DTXSID6044517
• Nikkaji Number: J40.200A
• Wikidata: Q27293590
• ChEMBL ID: CHEMBL1604278
• Mol file: 1131-18-6.mol

Synonyms:1131-18-6;3-Methyl-1-phenyl-1H-pyrazol-5-amine;5-Amino-3-methyl-1-phenylpyrazole;1H-Pyrazol-5-amine, 3-methyl-1-phenyl-;1-Phenyl-3-methyl-5-aminopyrazole;5-Methyl-2-phenyl-2H-pyrazol-3-ylamine;5-methyl-2-phenylpyrazol-3-amine;1-PHENYL-3-METHYL-5-AMINO PYRAZOLE;3-Methyl-1-phenylpyrazol-5-ylamine;Pyrazole, 5-amino-3-methyl-1-phenyl-;EINECS 214-463-3;BRN 0140666;UNII-X6087GEB2P;1H-Pyrazole-5-amine, 3-methyl-1-phenyl-;X6087GEB2P;DTXSID6044517;MFCD00020727;5-25-09-00466 (Beilstein Handbook Reference);CDS1_000057;Maybridge1_002345;Cambridge id 5108082;MLS000104498;DivK1c_001097;SCHEMBL387289;F3095-4785;SCHEMBL9506885;5-amino-1-phenyl methylpyrazole;CHEMBL1604278;DTXCID4024517;FMKMKBLHMONXJM-UHFFFAOYSA-;HMS548C13;AMY6959;1-phenyl-3-methyl-5-pyrazolamine;HMS2311H18;STR07933;Tox21_301945;5-amino-3-methyl- 1-phenylpyrazole;STK019153;AKOS000275855;AB01287;CS-W017549;FS-1115;SDCCGMLS-0046251.P002;NCGC00255781-01;3-methyl-1-phenyl-1H-pyrazol-5-ylamine;SMR000054433;SY016186;5-Amino-3-methyl-1-phenylpyrazole, 97%;CAS-1131-18-6;UPCMLD0ENAT0515-0234:001;LS-127995;A1311;BB 0219313;FT-0616043;EN300-02206;VU0224425-4;3-AMINO-5-METHYL-2-PHENYL-2H-PYRAZOLE;A802731;AC-907/30063022;W-108626;Q27293590;Z55423087;5-methyl-2-phenyl-pyrazol-3-amine

Chemical Property of 3-Methyl-1-phenyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Melting Point: 114-117 °C(lit.)
• Refractive Index: 1.624
• Boiling Point: 333 °C at 760 mmHg
• PKA: 3.88±0.10(Predicted)
• Flash Point: 155.2 °C
• PSA: 43.84000
• Density: 1.17 g/cm³
• LogP: 2.34410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 6.051g/L at 25℃
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99.9% ^*data from raw suppliers

3-Methyl-1-phenyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2
• Uses: 3-methyl-1-phenyl-1H-pyrazol-5-amine is a useful research chemical. 5-Amino-3-methyl-1-phenylpyrazole may be used to synthesize:substituted pyrazolespyrazolopyridine derivativespyrazolo[3,4,-b]pyridines

Technology Process of 3-Methyl-1-phenyl-1H-pyrazol-5-amine

There total 26 articles about 3-Methyl-1-phenyl-1H-pyrazol-5-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: 95.0%

3-Aminocrotononitrile (1118-61-2) + phenylhydrazine (100-63-0) → 1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6)

Guidance literature:

for 16h; Reflux;

DOI:10.1039/c8ob02362j

Reference yield: 95.0%

phenylhydrazine hydrochloride (59-88-1) + 3-iminobutyronitrile (1118-60-1) → 1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6)

Guidance literature:

In hydrogenchloride; for 3h; Heating;

Reference yield: 90.0%

phenylhydrazine (100-63-0) + 3-iminobutyronitrile (1118-60-1) → 1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6)

Guidance literature:

phenylhydrazine; 3-iminobutyronitrile; With hydrogenchloride; In water; for 0.5h; Heating / reflux;

With sodium hydroxide; In water; at 0 ℃;

upstream raw materials:

5-methylisoxazole

phenylhydrazine

5-methylisoxazole 3-carboxylic acid

5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile

Downstream raw materials:

5-methyl-4-(4-nitro-phenylsulfanyl)-2-phenyl-2H-pyrazol-3-ylamine

4-(2-methoxy-phenylazo)-5-methyl-2-phenyl-2H-pyrazol-3-ylamine

3,5-dimethyl-4-oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid ethyl ester

3,5-dimethyl-1,7-diphenyl-1,7-dihydro-dipyrazolo[3,4-b;4',3'-e]pyridine

Refernces

• 1、 Ustimenko, Yulia P.,Agafontsev, Alexander M.,Komarov, Vladislav Yu.,Tkachev, Alexey V.. "Synthesis of chiral nopinane annelated 3-methyl-1-aryl-1H-pyrazolo[3,4-b]pyridines by condensation of pinocarvone oxime with 1-aryl-1H-pyrazol-5-amines". . p. 584 - 586. Retrieved 2018.
• 2、 Bhardwaj, Atul,Kaur, Jatinder,Wuest, Melinda,Wuest, Frank. "In situ click chemistry generation of cyclooxygenase-2 inhibitors". . . Retrieved 2017.
• 3、 Miyachi, Hiroyuki,Yuzuriha, Tomohiro,Tabata, Ryotaro,Fukuda, Syohei,Nunomura, Kazuto,Lin, Bangzhong,Kobayashi, Tadayuki,Ishimoto,Doi, Takefumi,Tachibana, Keisuke. "Structural development of 1H-pyrazolo-[3,4-b]pyridine-4-carboxylic acid derivatives as human peroxisome proliferator-activated receptor alpha (PPARα)-selective agonists". . p. 2124 - 2128. Retrieved 2019.
• 4、 Pan, Junyi,Liu, Cheng,Wang, Jianqiang,Dai, Yunqiao,Wang, Shengyu,Guo, Cheng. "Visible-light enabled C4-thiocyanation of pyrazoles by graphite-phase carbon nitride (g-C3N4)". supporting information. . Retrieved 2021/07/14.