4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide

Base Information

• Chemical Name: 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide
• CAS No.: 26165-67-3
• Molecular Formula: C13H15N3O
• Molecular Weight: 229.282
• Hs Code.: 2933990090
• European Community (EC) Number: 630-250-1
• DSSTox Substance ID: DTXSID30351512
• Wikidata: Q82127976
• ChEMBL ID: CHEMBL1446578
• Mol file: 26165-67-3.mol

Synonyms:26165-67-3;4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide;4-(2,5-dimethylpyrrol-1-yl)benzohydrazide;4-[1-(2,5-Dimethylpyrrolo)]benzohydrazide;Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide;Maybridge1_006667;Oprea1_417752;MLS000389041;CHEMBL1446578;HMS560H01;DTXSID30351512;HMS2515B23;BBA16567;CCG-56263;MFCD01570907;AKOS000287834;SB62474;SMR000255215;4-(2,5-dimethyl-1-pyrrolyl)benzohydrazide;CS-0333423;FT-0616503;4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzhydrazide;A818231;4-(2,5-dimethylpyrrol-1-yl)benzoic acid hydrazide;SR-01000645232-1;Z56886383;Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-,hydrazide

Chemical Property of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide

Chemical Property:

• Melting Point: 168 °C
• Refractive Index: 1.609
• PSA: 60.05000
• Density: 1.18 g/cm³
• LogP: 2.78880
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.121512110
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid hydrazide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NN)C

Technology Process of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide

There total 8 articles about 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzohydrazide 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: 99.0%

ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (5159-70-6) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid hydrazide (26165-67-3)

Guidance literature:

With hydrazine hydrate; In ethanol; at 110 ℃;

DOI:10.1002/anie.202007613

Reference yield: 85.0%

methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (26165-66-2) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid hydrazide (26165-67-3)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.3906/kim-1811-4

Reference yield:

2,5-hexanedione (110-13-4) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid hydrazide (26165-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 1 h / Reflux

2: hydrazine hydrate / ethanol / 3 h / Reflux

With hydrazine hydrate; acetic acid; In ethanol; 1: |Paal-Knorr Pyrrole Synthesis;

DOI:10.1007/s00044-012-0112-0

upstream raw materials:

methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate

ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate

2,5-hexanedione

p-aminoethylbenzoate

Downstream raw materials:

N-(3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethanocycloprop[f]isoindol-2-(1H)-yl)-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzamide

N-(2,5-dimethyl-pyrrol-1-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

C₂₆H₂₃N₃O

4-(2,5-dimethylpyrrol-1-yl)benzoic acid[1-(4-aminophenyl)ethylidene]hydrazide