3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 199682-73-0
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• Hs Code.: 2933199090
• European Community (EC) Number: 633-748-7,948-494-5
• DSSTox Substance ID: DTXSID20353207
• Nikkaji Number: J889.076E
• Wikidata: Q82130678
• ChEMBL ID: CHEMBL1369938
• Mol file: 199682-73-0.mol

Synonyms:3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde;199682-73-0;5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde;3-(4-Methoxyphenyl)pyrazole-4-carboxaldehyde;3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE;CBMicro_017678;Cambridge id 6132430;6132-43-0;MLS000572316;1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-;SCHEMBL1336717;CHEMBL1369938;DTXSID20353207;HMS2517I06;CCG-14275;MFCD01133696;STK154326;AKOS000112330;AKOS001476738;AB08344;BP-11205;SMR000194277;BIM-0017912.P001;BB 0219859;BB 0249024;CS-0117004;FT-0613686;M2902;EN300-24713;T72030;10P-136;1H-Pyrazole-4-carbaldehyde, 3-(4-methoxyphenyl)-;3-(4-Methoxy-phenyl)-1H-pyrazole-4-carbald ehyde;5-(4-Methoxy-phenyl)-1H-pyrazole-4-carbald ehyde;Z203240906;4-AMINO-6-CHLORO-BENZENE-1,3-DISULFONYLDICHLORIDE;3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR;5-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR

Chemical Property of 3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.91E-08mmHg at 25°C
• Melting Point: 160oC
• Boiling Point: 449.2°C at 760 mmHg
• Flash Point: 225.5°C
• PSA: 54.98000
• Density: 1.248g/cm³
• LogP: 1.89780
• Sensitive.: Air Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxyphenyl)-1h-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(C=NN2)C=O

Technology Process of 3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

There total 4 articles about 3-(4-methoxyphenyl)-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: 63.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-methoxyacetophenone semicarbazone (717-14-6) → 3-(4-Methoxyphenyl)-1H-pyrazole-4-carboxaldehyde (199682-73-0)

Guidance literature:

With trichlorophosphate; at 40 - 80 ℃;

DOI:10.1007/s11176-005-0318-7

Reference yield:

4-methoxyacetophenone semicarbazone (717-14-6) → 3-(4-Methoxyphenyl)-1H-pyrazole-4-carboxaldehyde (199682-73-0)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 70 ℃; for 6.5h;

DOI:10.2174/1573406412666160822160156

Reference yield:

C10H13N3O2 (120445-97-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-Methoxyphenyl)-1H-pyrazole-4-carboxaldehyde (199682-73-0)

Guidance literature:

C₁₀H₁₃N₃O₂; N,N-dimethyl-formamide; With trichlorophosphate; at 65 ℃; for 6.5h; Cooling with ice;

With sodium hydroxide; In water; pH=7; Cooling with ice;

DOI:10.1016/j.ejmech.2011.09.026

upstream raw materials:

N,N-dimethyl-formamide

4-methoxyacetophenone semicarbazone

1-(4-methoxyphenyl)ethanone

C₁₀H₁₃N₃O₂

Downstream raw materials:

C₁₄H₁₄N₆OS

C₁₆H₁₈N₆OS

C₁₉H₁₆N₆OS

C₁₈H₂₅N₅O