methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride

Base Information

• Chemical Name: methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride
• CAS No.: 53958-94-4
• Molecular Formula: C7H10N2O2.ClH
• Molecular Weight: 190.63
• European Community (EC) Number: 962-938-5
• ChEMBL ID: CHEMBL3251662
• DSSTox Substance ID: DTXSID80593728
• Mol file: 53958-94-4.mol

Synonyms:methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride;53958-94-4;31434-93-2;3-(1H-Imidazol-4-yl)-propionic acid methyl ester hydrochloride;3-(1H-imidazol-4-yl)-propionic acid methyl ester hydrochloride;methyl 3-(1H-imidazol-5-yl)propanoate hydrochloride;METHYL 3-(1H-IMIDAZOL-4-YL)-PROPANOATE HYDROCHLORIDE;Methyl 3-(1H-imidazol-4-yl)propanoate HCl;methyl 3-(imidazol-4-yl)propionate hydrochloride;methyl 3-(1H-imidazol-5-yl)propanoate;hydrochloride;3-(Tetraphen-7-yl)pyridine;SCHEMBL1039136;CHEMBL3251662;DTXSID80593728;AITCRIQOLWJSQW-UHFFFAOYSA-N;BCP29611;MFCD08061575;AKOS015962507;SB37574;AC-17173;AS-69102;DB-130081;CS-0453398;Methyl 3-(1H-Imidazol-4-yl)propionate HCl;EN300-71695;Z1250100623;3-(1h-imidazol-4-yl)propionic acid methyl ester hydrochloride;Methyl 3-(1H-imidazol-5-yl)propanoate--hydrogen chloride (1/1)

Chemical Property of methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride

Chemical Property:

• PSA: 54.98000
• LogP: 1.31730
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 190.0509053
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

≥95% ^*data from raw suppliers

Methyl3-(1H-Imidazol-4-yl)propanoateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCC1=CN=CN1.Cl

Technology Process of methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride

There total 6 articles about methyl 3-(1H-imidazol-4-yl)propanoate hydrochloride 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: 98.0%

trans-4-imidazoleacrylic acid methyl ester hydrochloride (54260-89-8) → 3-(1H-imidazol-4-yl)propionic acid methyl ester hydrochloride (53958-94-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; for 48h;

Reference yield: 98.0%

methanol (67-56-1) + urocanic acid (104-98-3) → 3-(1H-imidazol-4-yl)propionic acid methyl ester hydrochloride (53958-94-4)

Guidance literature:

urocanic acid; With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; water; at 45 ℃; for 96h; under 760.051 Torr; Large scale;

methanol; With hydrogenchloride; at 45 ℃; Large scale;

Reference yield:

methanol (67-56-1) + 3-(imidazol-4-yl)propionic acid (1074-59-5) → 3-(1H-imidazol-4-yl)propionic acid methyl ester hydrochloride (53958-94-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃;

upstream raw materials:

trans-4-imidazoleacrylic acid methyl ester hydrochloride

methanol

3-(4-imidazolyl)propionic acid monohydrochloride

urocanic Acid

Downstream raw materials:

4-(3-aminopropyl)-1-(triphenylmethyl)-imidazole

2-[3-(1-trityl-1H-imidazol-4-yl)propyl]isoindoline-1,3-dione

Refernces

• 1、 -. "STABLE GLP-1 BASED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS". Page/Page column 38; 39. . Retrieved 2016/05/02.
• 2、 Lelais, Gerald,Micuch, Peter,Josien-Lefebvre, Delphine,Rossi, Francesco,Seebach, Dieter. "Preparation of protected β2- and β3- homocysteine, β2- and β3-homohistidine, and β2-homoserine for solid-phase syntheses". . p. 3131 - 3159. Retrieved 2007/10/03.