1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, ethyl ester

Base Information

Chemical Name:1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, ethyl ester
CAS No.:91857-65-7
Molecular Formula:C₁₂H₁₂BrN₃O₂
Molecular Weight:310.15
Hs Code.:
ChEMBL ID:CHEMBL2234268

Synonyms:CHEMBL2234268;1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, ethyl ester;4-Amino-5-(p-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester;3-Pyrazolecarboxylic acid, 4-amino-5-(p-bromophenyl)-, ethyl ester;91857-65-7;BDBM50486289;ethyl 4-amino-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

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Chemical Property of 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, ethyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:309.01129
Heavy Atom Count:18
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)Br)N

Technology Process of 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, ethyl ester

There total 4 articles about 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-bromophenyl)-, 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: 80.2%

: 1224879-14-4
C₁₈H₁₅BrN₄O₂

: 1224879-17-7,91857-65-7
C₁₂H₁₂BrN₃O₂

Guidance literature:: With hydrogenchloride; tin(ll) chloride; In ethanol; Cooling with ice;
DOI:10.1007/s00044-010-9328-z

Reference yield: 37.0%

: 623-73-4
diazoacetic acid ethyl ester

: 16532-79-9
4-Bromophenylacetonitrile

: 91857-65-7
4-Amino-5-(4-bromo-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester

Guidance literature:: With sodium ethanolate; In ethanol; Ambient temperature;

Reference yield:

: 40155-54-2
ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate

: 1224879-17-7,91857-65-7
C₁₂H₁₂BrN₃O₂

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C

1.2: 2 h / 0 - 5 °C

2.1: hydrazine hydrate / acetic acid / 4 h / 20 °C

3.1: hydrogenchloride; tin(ll) chloride / ethanol / Cooling with ice

With hydrogenchloride; hydrazine hydrate; tin(ll) chloride; sodium nitrite; In ethanol; water; acetic acid;
DOI:10.1007/s00044-010-9328-z