(3-Oxopiperazin-2-yl)acetic acid

Base Information

• Chemical Name: (3-Oxopiperazin-2-yl)acetic acid
• CAS No.: 405214-33-7
• Molecular Formula: C₆H₁₀N₂O₃
• Molecular Weight: 158.157
• DSSTox Substance ID: DTXSID60406448
• Mol file: 405214-33-7.mol

Synonyms:(3-oxopiperazin-2-yl)acetic acid;405214-33-7;2-(3-oxopiperazin-2-yl)acetic acid;MFCD04226363;2-PIPERAZINEACETIC ACID, 3-OXO-;SDCCGMLS-0065611.P001;isopentylcyclohexanecarboxylate;SCHEMBL5109358;DTXSID60406448;DXJIRWKIYQMFBA-UHFFFAOYSA-N;1240589-75-6;2-(3-oxopiperazin-2-yl)aceticacid;AKOS000496647;AKOS016042311;AB20812;AB61589;AB61592;3-(hydroxycarbonylmethyl)piperazin-2-one;NCGC00475356-01;2-(3-OXO-2-PIPERAZINYL)ACETIC ACID;BB 0253466;CS-0119725;(3-Oxo-2-piperazinyl)acetic acid, AldrichCPR;E76049;EN300-113868;((R)-3-OXO-PIPERAZIN-2-YL)-ACETIC ACID;((S)-3-OXO-PIPERAZIN-2-YL)-ACETIC ACID

Chemical Property of (3-Oxopiperazin-2-yl)acetic acid

Chemical Property:

• XLogP3: -3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.06914219
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

2-(3-oxopiperazin-2-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C(N1)CC(=O)O

Technology Process of (3-Oxopiperazin-2-yl)acetic acid

There total 1 articles about (3-Oxopiperazin-2-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:

methyl 2-(3-oxopiperazin-2-yl)acetate (89852-17-5) → C6H10N2O3 (405214-33-7)

Guidance literature:

With lithium hydroxide monohydrate; water; at 40 ℃;

DOI:10.1016/j.bmcl.2011.03.115

Reference yield:

C6H10N2O3 (405214-33-7) → [3-oxo-1-(toluene-4-sulfonyl)-piperazin-2R-yl]-acetic acid (828914-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium carbonate / water; acetone

2: methanol

3: sulfuric acid / water

With sulfuric acid; sodium carbonate; In methanol; water; acetone;

DOI:10.1016/j.bmcl.2011.03.115

Reference yield:

C6H10N2O3 (405214-33-7) → 2-((2R,S)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piperazinyl)-N-((1R)-6-(4-morpholinylmethyl)-1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

Guidance literature:

Multi-step reaction with 6 steps

1: sodium carbonate / water; acetone

2: methanol

3: sulfuric acid / water

4: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide

5: manganese(IV) oxide / dichloromethane

6: sodium tris(acetoxy)borohydride / chloroform

With manganese(IV) oxide; sulfuric acid; sodium tris(acetoxy)borohydride; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; dichloromethane; chloroform; water; N,N-dimethyl-formamide; acetone;

DOI:10.1016/j.bmcl.2011.03.115

upstream raw materials:

methyl 2-(3-oxopiperazin-2-yl)acetate

Downstream raw materials:

[3-oxo-1-(toluene-4-sulfonyl)-piperazin-2R-yl]-acetic acid

C₈H₁₁N*C₁₃H₁₆N₂O₅S

C₈H₁₁N*C₁₃H₁₆N₂O₅S

C₃₀H₄₀N₄O₄S

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