ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate

Base Information

Chemical Name:ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate
CAS No.:29211-44-7
Molecular Formula:C13H14N2O3
Molecular Weight:246.266
Hs Code.:2933199090
DSSTox Substance ID:DTXSID601210335
Nikkaji Number:J2.266.533B
ChEMBL ID:CHEMBL1415639
Mol file:29211-44-7.mol

Synonyms:29211-44-7;ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate;Ethyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate;ethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate;MLS000676260;SCHEMBL4664663;CHEMBL1415639;DTXSID601210335;HMS2662G13;MFCD00600617;AKOS004912536;LS-06365;SMR000272002;SR-01000596963;SR-01000596963-1;1-Phenyl-5-oxo-2-pyrazoline-3-acetic acid ethyl ester;Ethyl 4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-acetate

Suppliers and Price of ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1H-PYRAZOLE-3-ACETIC ACID, 4,5-DIHYDRO-5-OXO-1-PHENYL-, ETHYL ESTER 95.00%
5MG
$ 505.85

Total 1 raw suppliers

Chemical Property of ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate

Chemical Property:

PSA：58.97000
LogP:1.23310
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:246.10044231
Heavy Atom Count:18
Complexity:359

Purity/Quality:: 1H-PYRAZOLE-3-ACETIC ACID, 4,5-DIHYDRO-5-OXO-1-PHENYL-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2

Technology Process of ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate

There total 2 articles about ethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate 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: 85.0%

: 100-63-0
phenylhydrazine

: 105-50-0
diethyl 1,3-acetonedicarboxylate

: 29211-44-7
ethyl 2-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)ethanoate

Guidance literature:: In ethanol; for 2h; Reflux;
DOI:10.1016/j.tet.2012.07.074

Reference yield:

: 29211-44-7
ethyl 2-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)ethanoate

Guidance literature:

Reference yield: 81.0%

: 29211-44-7
ethyl 2-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)ethanoate

: 62-53-3
aniline

: ethyl 2-[(4Z)-4-(2-phenylhydrazono)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl]ethanoate

Guidance literature:: aniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.166667h;

ethyl 2-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)ethanoate; With ammonium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 0.5h;
DOI:10.1016/j.tet.2012.07.074