5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 60484-29-9
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• Hs Code.: 2933199090
• European Community (EC) Number: 802-042-2
• Nikkaji Number: J2.129.207I
• Mol file: 60484-29-9.mol

Synonyms:60484-29-9;5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde;5-hydroxy-3-methyl-1-phenylpyrazole-4-carbaldehyde;5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde;5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde;AKOS BBS-00003106;4702-79-8;4-(Hydroxymethylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one;20719-13-5;CBMicro_027636;L-Alanineamidehydrochloride;Cambridge id 5677040;SCHEMBL435880;SCHEMBL8883561;SCHEMBL13678890;SCHEMBL14518012;CAABWYILLVOLJI-UHFFFAOYSA-N;RWBBDSAYSNJJHM-UHFFFAOYSA-N;BBL003457;MFCD00448479;STK009191;STK681096;STL024023;AKOS000268614;AKOS002343169;AKOS005596334;3-methyl-1-phenyl-4-formylpyrazol-5-one;VS-01340;BIM-0027807.P001;CS-0069605;CS-0360820;FT-0684337;1-phenyl-3-methyl-4-formyl-5-hydroxypyrazole;AB00093076-01;EN300-5320163;AJ-077/33273027;SR-01000216735;SR-01000216735-1;Z57473956;1H-Pyrazole-4-carbaldehyde, 5-hydroxy-3-methyl-1-phenyl-;1H-Pyrazole-4-carboxaldehyde, 2,5-dihydro-3-methyl-5-oxo-1-phenyl-;(4Z)-4-(hydroxymethylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 344.021oC at 760 mmHg
• Flash Point: 161.858oC
• PSA: 55.12000
• Density: 1.249g/cm3
• LogP: 1.69880
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O

Technology Process of 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

There total 3 articles about 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 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: 99.9%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-methyl-2-phenyl-2H-pyrazol-3-ol (942-32-5) → 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (60484-29-9)

Guidance literature:

With trichlorophosphate; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/j.molcata.2016.08.031

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + edaravone (89-25-8) → 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (60484-29-9)

Guidance literature:

With trichlorophosphate;

DOI:10.1016/j.saa.2011.03.008

Reference yield:

→ 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (60484-29-9)

Guidance literature:

Pyrazolon IV, NaOH;

DOI:10.1007/BF00471780

upstream raw materials:

N,N-dimethyl-formamide

edaravone

5-methyl-2-phenyl-2H-pyrazol-3-ol

Downstream raw materials:

1,3-dihydro-8'-(3-methyl-1-phenyl-1H-pyrazol-4-ylmethyleneamino)-1,3,3-trimethylspiro{2H-indole-2,3'(3H)-naphtho[2,1-b][1,4]oxazine}

C₁₇H₁₅N₅O₃