5-(1H-imidazol-1-yl)pentanoic acid

Base Information

• Chemical Name: 5-(1H-imidazol-1-yl)pentanoic acid
• CAS No.: 68887-65-0
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19300
• ChEMBL ID: CHEMBL1192280
• DSSTox Substance ID: DTXSID70510242
• Nikkaji Number: J472.837H
• Wikidata: Q82368404
• Mol file: 68887-65-0.mol

Synonyms:5-(1H-imidazol-1-yl)pentanoic acid;68887-65-0;5-imidazol-1-ylpentanoic acid;SCHEMBL5535386;CHEMBL1192280;BDBM84684;1-Subsituted 1H-imidazole, 21;DTXSID70510242;YTRRZWTXQVETAL-UHFFFAOYSA-N;5-(1H-imidazol-1-yl)pentanoicacid;AKOS009260081;CCG-357994;CS-0237429;EN300-183389;A1-08867;Z362633758

Chemical Property of 5-(1H-imidazol-1-yl)pentanoic acid

Chemical Property:

• PSA: 55.12000
• LogP: 1.13800
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

5-(1H-imidazol-1-yl)pentanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CCCCC(=O)O

Technology Process of 5-(1H-imidazol-1-yl)pentanoic acid

There total 6 articles about 5-(1H-imidazol-1-yl)pentanoic acid 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: 97.0%

ethyl 5-(1H-imidazol-1-yl)pentanoate (72338-50-2) → 5-(1H-imidazol-1-yl)pentanoic acid (68887-65-0)

Guidance literature:

ethyl 5-(1H-imidazol-1-yl)pentanoate; With water; sodium hydroxide; In ethanol; at 20 ℃; for 48h;

With hydrogenchloride; In water;

DOI:10.1016/j.ejmech.2011.01.042

Reference yield: 19.0%

(5-imidazole-1-yl)pentanoic acid methyl ester (1619971-70-8) → 5-(1H-imidazol-1-yl)pentanoic acid (68887-65-0)

Guidance literature:

(5-imidazole-1-yl)pentanoic acid methyl ester; With lithium hydroxide; In tetrahydrofuran; water; for 18h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

5-bromovaleric acid methyl ester (5454-83-1) → 5-(1H-imidazol-1-yl)pentanoic acid (68887-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide / 18 h

2: lithium hydroxide / water; tetrahydrofuran / 18 h

With sodium hydride; lithium hydroxide; In tetrahydrofuran; water; N,N-dimethyl-formamide;

upstream raw materials:

1H-imidazole-1-butanoic acid

ethyl 5-bromovalerate

ethyl 5-(1H-imidazol-1-yl)pentanoate

5-bromovaleric acid methyl ester

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