Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester

Base Information

• Chemical Name: Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester
• CAS No.: 64323-88-2
• Molecular Formula: C₁₄H₁₅N₃O₅
• Molecular Weight: 305.29
• Hs Code.: 2933290090
• NSC Number: 315575
• UNII: KF8853C8W3
• DSSTox Substance ID: DTXSID60214540
• Nikkaji Number: J62.582E
• Wikidata: Q83090405
• ChEMBL ID: CHEMBL1967543
• Mol file: 64323-88-2.mol

Synonyms:64323-88-2;Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester;Imidazole-5-methanol, 2-nitro-alpha,alpha-1-trimethyl-, 5-phenylcarbonate;NSC-315575;NSC 315575;BRN 0896205;NSC315575;2-Nitro-alpha,alpha,1-trimethylimidizole-5-methanol, 5-phenylcarbonate;CHEMBL1967543;DTXSID60214540;KF8853C8W3;2-(3-methyl-2-nitroimidazol-4-yl)propan-2-ylphenylcarbonate;Imidizole-5-methanol,.alpha.,1-trimethyl-, 5-phenylcarbonate;2-(1-methyl-2-nitro-1H-imidazol-5-yl)propan-2-yl phenyl carbonate;2-Nitro-.alpha.,1-trimethylimidizole-5-methanol, 5-phenylcarbonate;1-Methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl carbonate

Chemical Property of Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester

Chemical Property:

• Vapor Pressure: 3.56E-10mmHg at 25°C
• Boiling Point: 501.2°Cat760mmHg
• Flash Point: 256.9°C
• PSA: 99.17000
• Density: 1.29g/cm³
• LogP: 3.30220
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 305.10117059
• Heavy Atom Count: 22
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC(=O)OC2=CC=CC=C2

Technology Process of Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester

There total 2 articles about Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl 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:

phenyl chloroformate (1885-14-9) + 2-(3-methyl-2-nitro-3H-imidazol-4-yl)-propan-2-ol (60628-92-4) → 2-(3-methyl-2-nitro-3H-imidazol-4-yl)-2-phenoxycarbonyloxy-propane (64323-88-2)

Guidance literature:

With pyridine;

Reference yield:

→ 2-(3-methyl-2-nitro-3H-imidazol-4-yl)-2-phenoxycarbonyloxy-propane (64323-88-2)

Guidance literature:

aus Phenylchloroformat, entspr. Alkohol 7;

DOI:10.1021/jm00206a012

upstream raw materials:

phenyl chloroformate

2-(3-methyl-2-nitro-3H-imidazol-4-yl)-propan-2-ol

Refernces