1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester

Base Information

Chemical Name:1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester
CAS No.:160662-12-4
Molecular Formula:C₂₂H₂₀N₄O₃
Molecular Weight:388.426
Hs Code.:
DSSTox Substance ID:DTXSID30166966
Nikkaji Number:J611.731G
Wikidata:Q83036262
Mol file:160662-12-4.mol

Synonyms:160662-12-4;1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester;Ethyl 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-1H-pyrazole-4-acetate;ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate;DTXSID30166966;MDLQINIZXWWQRG-UHFFFAOYSA-N;LS-127970;1-Methyl-5-[2-phenyl-4-oxoquinazolin-3(4H)-yl]-1H-pyrazole-4-acetic acid ethyl ester

Suppliers and Price of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester

Chemical Property:

Vapor Pressure:3.17E-13mmHg at 25°C
Boiling Point:575°Cat760mmHg
PKA:1.87±0.10(Predicted)
Flash Point:301.6°C
PSA：79.01000
Density:1.28g/cm³
LogP:2.89180
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:388.15354051
Heavy Atom Count:29
Complexity:646

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Technology Process of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester

There total 7 articles about 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester 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:

: N-methyl-N-acetyl-N'-(2,3-dicyano-1-propen-1-yl)hydrazine

: 160662-12-4
[1-Methyl-5-(4-oxo-2-phenyl-4H-quinazolin-3-yl)-1H-pyrazol-4-yl]-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) HCl(gas), 2.) H₂O / 1.) reflux, 4 h, 2.) reflux, 30 min

2: 65 percent / Et₃N / CHCl₃ / 5 h / Heating

3: H₂ / 10percent Pd/C / ethanol / 8 h / 2327.2 - 2585.7 Torr

4: 5 h / Heating

With hydrogenchloride; water; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; chloroform;
DOI:10.1016/0223-5234(94)90033-7

Reference yield:

: 160662-05-5
1-methyl-4-cyanomethyl-5-aminopyrazole

: 160662-12-4
[1-Methyl-5-(4-oxo-2-phenyl-4H-quinazolin-3-yl)-1H-pyrazol-4-yl]-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) HCl(gas), 2.) H₂O / 1.) reflux, 4 h, 2.) reflux, 30 min

2: 65 percent / Et₃N / CHCl₃ / 5 h / Heating

3: H₂ / 10percent Pd/C / ethanol / 8 h / 2327.2 - 2585.7 Torr

4: 5 h / Heating

With hydrogenchloride; water; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; chloroform;
DOI:10.1016/0223-5234(94)90033-7

Reference yield:

: 160662-06-6
(5-Amino-1-methyl-1H-pyrazol-4-yl)-acetic acid ethyl ester

: 160662-12-4
[1-Methyl-5-(4-oxo-2-phenyl-4H-quinazolin-3-yl)-1H-pyrazol-4-yl]-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / Et₃N / CHCl₃ / 5 h / Heating

2: H₂ / 10percent Pd/C / ethanol / 8 h / 2327.2 - 2585.7 Torr

3: 5 h / Heating

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; chloroform;
DOI:10.1016/0223-5234(94)90033-7