1H-Imidazole-1-acetic acid, phenylmethyl ester

Base Information

• Chemical Name: 1H-Imidazole-1-acetic acid, phenylmethyl ester
• CAS No.: 134807-23-1
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.239
• DSSTox Substance ID: DTXSID80434526
• Wikidata: Q82248973
• Mol file: 134807-23-1.mol

Synonyms:134807-23-1;1H-Imidazole-1-acetic acid, phenylmethyl ester;SCHEMBL408076;Benzyl 2-(1-Imidazolyl)acetate;DTXSID80434526;MDPKYAPCYDAGSN-UHFFFAOYSA-N

Chemical Property of 1H-Imidazole-1-acetic acid, phenylmethyl ester

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CN2C=CN=C2

Technology Process of 1H-Imidazole-1-acetic acid, phenylmethyl ester

There total 2 articles about 1H-Imidazole-1-acetic acid, phenylmethyl ester 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: 51.0%

1H-imidazole (288-32-4) + Benzyl bromoacetate (5437-45-6) → Benzyl imidazol-1-ylacetate (134807-23-1)

Guidance literature:

With potassium hydroxide; potassium carbonate; 1,5-bis<(N-benzyl-N,N-diethylammonio)ethyl> ether dichloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1021/jo00100a030

Reference yield:

1H-imidazole (288-32-4) + chloroacetyl chloride (79-04-9) + benzyl alcohol (100-51-6,185532-71-2) → Benzyl imidazol-1-ylacetate (134807-23-1)

Guidance literature:

In acetonitrile; at 10 - 55 ℃; for 12h;

Reference yield: 71.0%

Benzyl imidazol-1-ylacetate (134807-23-1) → N-<(benzyloxycarbonyl)methyl>-N-formylformamide (141264-16-6)

Guidance literature:

With ozone; In methanol; at -78 ℃;

DOI:10.3987/COM-91-S67

upstream raw materials:

1H-imidazole

Benzyl bromoacetate

chloroacetyl chloride

benzyl alcohol

Downstream raw materials:

N-<(benzyloxycarbonyl)methyl>-N-formylformamide

imidazol-1-ylacetic acid