Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide

Base Information

• Chemical Name: Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide
• CAS No.: 139277-57-9
• Molecular Formula: C11H12N4O
• Molecular Weight: 216.242
• DSSTox Substance ID: DTXSID30478798
• Nikkaji Number: J489.068J
• Wikidata: Q82312411
• Mol file: 139277-57-9.mol

Synonyms:139277-57-9;Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide;4-(imidazol-1-ylmethyl)benzohydrazide;4-((1H-Imidazol-1-yl)methyl)benzohydrazide;4-(1h-imidazol-1-ylmethyl)benzohydrazide;DTXSID30478798

Chemical Property of Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.10111102
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)C(=O)NN

Technology Process of Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide

There total 6 articles about Benzoic acid, 4-(1H-imidazol-1-ylmethyl)-, hydrazide 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: 84.0%

methyl 4-((1H-imidazol-1-yl)methyl)benzoate (160446-18-4) → 4-[(1H-imidazol-1-yl)-methyl]benzhydrazide (139277-57-9)

Guidance literature:

With hydrazine hydrate; for 4h; Heating;

DOI:10.1007/s11176-005-0180-7

Reference yield: 83.0%

ethyl 4-((1H-imidazol-1-yl)methyl)benzoate (56643-80-2) → 4-[(1H-imidazol-1-yl)-methyl]benzhydrazide (139277-57-9)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; for 3h;

DOI:10.1016/0223-5234(92)90005-L

Reference yield:

4-(1H-imidazol-1-ylmethyl)benzoic acid (94084-75-0) → 4-[(1H-imidazol-1-yl)-methyl]benzhydrazide (139277-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: concd H₂SO₄ / Heating

2: 83 percent / NH₂NH₂*H₂O / ethanol / 3 h / 100 °C

With sulfuric acid; hydrazine hydrate; In ethanol;

DOI:10.1016/0223-5234(92)90005-L

upstream raw materials:

ethyl 4-((1H-imidazol-1-yl)methyl)benzoate

methyl 4-((1H-imidazol-1-yl)methyl)benzoate

Methyl 4-(bromomethyl)benzoate

4-(1-imidazolylmethyl)-benzonitrile

Downstream raw materials:

N-benzoyl-N'-[4-(1H-imidazol-1-ylmethyl)benzoyl]hydrazine