3-(1H-imidazol-5-yl)propanehydrazide

Base Information

• Chemical Name: 3-(1H-imidazol-5-yl)propanehydrazide
• CAS No.: 113872-16-5
• Molecular Formula: C₆H₁₀N₄O
• Molecular Weight: 154.172
• DSSTox Substance ID: DTXSID80553862
• Wikidata: Q72482308
• Mol file: 113872-16-5.mol

Synonyms:113872-16-5;3-(1H-imidazol-5-yl)propanehydrazide;1H-Imidazole-5-propanoic Acid Hydrazide;1H-Imidazole-5-propanoic acid, hydrazide;SCHEMBL16576431;DTXSID80553862;AKOS006341625

Chemical Property of 3-(1H-imidazol-5-yl)propanehydrazide

Chemical Property:

• Refractive Index: 1.584
• PSA: 87.29000
• LogP: 0.87280
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.08546096
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%Min ^*data from raw suppliers

1H-Imidazole-5-propanoic acid hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)CCC(=O)NN
• Uses: 1H-Imidazole-4-propanoic acid, hydrazide (9CI) is used for the preparation of coupling reagent for derivatization of Cortisol (H714615).

Technology Process of 3-(1H-imidazol-5-yl)propanehydrazide

There total 8 articles about 3-(1H-imidazol-5-yl)propanehydrazide 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:

methyl 3-(4-imidazolyl)propionate (31434-93-2) → 3-(4-imidazolyl)propionic acid hydrazide (113872-16-5)

Guidance literature:

With hydrazine hydrate; In hydrogenchloride; methanol; at 70 ℃; for 2h;

DOI:10.1248/cpb.35.5000

Reference yield:

urocanic Acid (3465-72-3) → 3-(4-imidazolyl)propionic acid hydrazide (113872-16-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) 0.5N NaOH; 2.) cc. HCl / 10percent palladium-on-charcoal / 1.) 2 h;

2: HCl / 2 h / Heating

3: 0.8 g / 100percent hydrazine hydrate / methanol; HCl / 2 h / 70 °C

With hydrogenchloride; sodium hydroxide; hydrazine hydrate; palladium on activated charcoal; In hydrogenchloride; methanol;

DOI:10.1248/cpb.35.5000

Reference yield:

3-(4-imidazolyl)propionic acid monohydrochloride (53958-93-3) → 3-(4-imidazolyl)propionic acid hydrazide (113872-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / 2 h / Heating

2: 0.8 g / 100percent hydrazine hydrate / methanol; HCl / 2 h / 70 °C

With hydrogenchloride; hydrazine hydrate; In hydrogenchloride; methanol;

DOI:10.1248/cpb.35.5000

upstream raw materials:

ethyl 3-(imidazol-4'-yl)-propanoate

3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-acrylic acid

3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-propionic acid

3-(imidazol-4-yl)propionic acid