2-oxo-2-(4-phenylpiperazin-1-yl)acetic Acid

Base Information

• Chemical Name: 2-oxo-2-(4-phenylpiperazin-1-yl)acetic Acid
• CAS No.: 791582-32-6
• Molecular Formula: C₁₂H₁₄N₂O₃
• Molecular Weight: 234.255
• DSSTox Substance ID: DTXSID401284083
• Mol file: 791582-32-6.mol

Synonyms:2-oxo-2-(4-phenylpiperazin-1-yl)acetic Acid;791582-32-6;Oxamic Acid/Ester, 27;BDBM93309;DTXSID401284083;AKOS003591569;alpha-Oxo-4-phenyl-1-piperazineacetic acid;CS-0239755;EN300-218565

Chemical Property of 2-oxo-2-(4-phenylpiperazin-1-yl)acetic Acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C(=O)O

Technology Process of 2-oxo-2-(4-phenylpiperazin-1-yl)acetic Acid

There total 1 articles about 2-oxo-2-(4-phenylpiperazin-1-yl)acetic 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:

4-phenyl-1-piperazine (92-54-6) + Ethyl oxalyl chloride (4755-77-5) → C12H14N2O3 (791582-32-6)

Guidance literature:

4-phenyl-1-piperazine; Ethyl oxalyl chloride; In dichloromethane; at 0 ℃;

With water; sodium hydroxide; In ethanol; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmcl.2019.02.017

Reference yield:

C12H14N2O3 (791582-32-6) + 6-amino-1,3-benzoxazol-2-(3H)-one (22876-17-1) → C19H18N4O4 (948021-08-7)

Guidance literature:

With dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2019.02.017

upstream raw materials:

4-phenyl-1-piperazine

Ethyl oxalyl chloride

Downstream raw materials:

C₁₉H₁₈N₄O₄