methyl 2-(1H-imidazol-5-yl)acetate

Base Information

• Chemical Name: methyl 2-(1H-imidazol-5-yl)acetate
• CAS No.: 4200-46-8
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID20553063
• Nikkaji Number: J1.139.288A
• Wikidata: Q82433548
• Mol file: 4200-46-8.mol

Synonyms:methyl 2-(1H-imidazol-5-yl)acetate;4200-46-8;Methyl 2-(1H-imidazol-4-yl)acetate;1H-Imidazole-4-acetic acid, methyl ester;(1H-imidazol-4-yl)-acetic acid methyl ester;Methyl 4-Imidazoleacetate;SCHEMBL45123;Methyl 1H-imidazol-4-ylacetate;DTXSID20553063;CURCXTFZSFUUQT-UHFFFAOYSA-N;Methyl (1H-imidazol-5-yl)acetate;AMY39676;methyl2-(1H-imidazol-5-yl)acetate;MFCD28101666;AKOS006352463;PB42793;AS-78098;(1h-imidazol-4-yl)acetic acid methyl ester;CS-0054332;F53522

Chemical Property of methyl 2-(1H-imidazol-5-yl)acetate

Chemical Property:

• PSA: 54.98000
• LogP: 0.12520
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

NLT 98% ^*data from raw suppliers

methyl2-(1H-imidazol-5-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CN=CN1

Technology Process of methyl 2-(1H-imidazol-5-yl)acetate

There total 7 articles about methyl 2-(1H-imidazol-5-yl)acetate 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: 100.0%

methanol (67-56-1) + imidazole-4-acetic acid sodium salt → (1H-imidazol-4-yl)-acetic acid methyl ester (4200-46-8)

Guidance literature:

With hydrogenchloride; at 0 - 20 ℃; for 4.66667h;

Reference yield: 99.0%

methanol (67-56-1) + 2-(1H-imidazol-4-yl)acetic acid (645-65-8) → (1H-imidazol-4-yl)-acetic acid methyl ester (4200-46-8)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

DOI:10.1002/chem.201504520

Reference yield: 66.0%

imidazole-4-acetic acid hydrochloride (3251-69-2) → 1'-[2-(3H-imidazol-4-yl)-ethyl]-3,3-dimethyl-1',2',3',4',5',6'-hexahydro-[2,2';6',2]terpyridine (HBr Salt) + (1H-imidazol-4-yl)-acetic acid methyl ester (4200-46-8)

Guidance literature:

With sulfuric acid; sodium chloride; In methanol; dichloromethane;

upstream raw materials:

methanol

imidazole-4-acetic acid hydrochloride

2-(1H-imidazol-4-yl)acetic acid

Downstream raw materials:

imidazoleacetic acid riboside

methyl [1-(triphenylmethyl)-1H-imidazol-4-yl]acetate

C₁₂H₁₁⁽²⁾H₂N₅O₂S

NO-bis-p-tolylsulphonyl<αα-(2)H2>histaminol