3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

Base Information

• Chemical Name: 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
• CAS No.: 370096-68-7
• Molecular Formula: C11H12N4O2
• Molecular Weight: 232.242
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID201189857
• Wikidata: Q27209833
• ChEMBL ID: CHEMBL1535828
• Mol file: 370096-68-7.mol

Synonyms:3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide;370096-68-7;5-(4-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide;MLS000560356;CHEMBL1535828;CHEBI:121299;DTXSID201189857;HMS2543P04;MFCD00442064;STK299954;AKOS000122512;AKOS015922368;SB85947;SMR000176356;BB 0219031;BB 0258975;CS-0307632;EN300-03760;SR-01000310261;SR-01000310261-1;Q27209833;Z56782958;3-(4-Methoxyphenyl)-1H-pyrazole-5-carbohydrazide, 97%;F1126-0926;5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide;5-(4-Methoxyphenyl)-2H-pyrazole-3-carboxylic acid hydrazide

Chemical Property of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

Chemical Property:

• PSA: 93.03000
• LogP: 1.78000
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.09602564
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenyl)-1H-pyrazole-5-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

There total 4 articles about 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide 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: 90.0%

2-hydroxy-4-(4-methoxyphenyl)-4-oxo-but-2-enoic acid methyl ester (39848-02-7,65356-48-1) → 5-(4-methoxyphenyl)-2H-pyrazole-3-carbohydrazide (370096-68-7)

Guidance literature:

With hydrazine; In ethanol; for 6h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmcl.2010.10.005

Reference yield:

ethyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate (938182-54-8,229015-76-3) → 5-(4-methoxyphenyl)-2H-pyrazole-3-carbohydrazide (370096-68-7)

Guidance literature:

With hydrazine hydrate; In methanol; Reflux;

DOI:10.1016/j.saa.2011.10.021

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → 5-(4-methoxyphenyl)-2H-pyrazole-3-carbohydrazide (370096-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; sodium / benzene / 0 - 20 °C

2: hydrazine / ethanol / 6 h / Reflux; Inert atmosphere

With methanol; sodium; hydrazine; In ethanol; benzene;

DOI:10.1016/j.bmcl.2010.10.005

upstream raw materials:

2-hydroxy-4-(4-methoxyphenyl)-4-oxo-but-2-enoic acid methyl ester

1-(4-methoxyphenyl)ethanone

ethyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate

ethyl 3-(4-methoxybenzoyl)pyruvate

Downstream raw materials:

N'-[1-(3,4-dimethoxyphenyl)ethylidene]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

2-(6-methoxy-3-methylbenzofuran-2-yl)-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-1,3,4-oxadiazole

C₂₂H₂₀N₄O₅