Piperazin-1-yl-acetic acid

Base Information

• Chemical Name: Piperazin-1-yl-acetic acid
• CAS No.: 37478-58-3
• Molecular Formula: C6H12N2O2
• Molecular Weight: 144.173
• Hs Code.: 2933599090
• European Community (EC) Number: 671-465-0
• DSSTox Substance ID: DTXSID00349502
• ChEMBL ID: CHEMBL1451367
• Mol file: 37478-58-3.mol

Synonyms:Piperazin-1-yl-acetic acid;37478-58-3;2-(piperazin-1-yl)acetic acid;2-piperazin-1-ylacetic acid;1-Piperazineacetic acid;piperazin-1-ylacetic acid;N'-(carboxymethyl)-piperazine;2-piperazinylacetic acid;2-(piperazin-1-yl)-acetic acid;piperazineacetic acid;BAS 03840570;SMR000012619;piperazin-1-yl acetic acid;SCHEMBL62990;MLS000068242;2-(piperazin-1-yl)aceticacid;CHEMBL1451367;DTXSID00349502;WRJZKSHNBALIGH-UHFFFAOYSA-N;HMS2189P21;AKOS000276254;AB13768;SDCCGMLS-0016870.P002;BS-28021;5-Isoxazol-3-ylthiophene-2-sulfonylchloride;BB 0221277;FT-0694386;EN300-42484;R10048;F1929-1681

Chemical Property of Piperazin-1-yl-acetic acid

Chemical Property:

• Melting Point: >220°C
• Boiling Point: 292.6 °C at 760mmHg
• PKA: 1.85±0.10(Predicted)
• Flash Point: 130.7 °C
• PSA: 52.57000
• Density: 1.146 g/cm³
• LogP: -0.75710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 144.089877630
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Piperazin-1-yl)aceticAcidHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)CC(=O)O

Technology Process of Piperazin-1-yl-acetic acid

There total 6 articles about Piperazin-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:

tert-butyl 4-(2-(tert-butoxy)-2-oxoethyl)piperazine-1-carboxylate (180576-04-9) → N'-(carboxymethyl)-piperazine (37478-58-3)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 12h;

Reference yield:

piperazine (110-85-0) + bromoacetic acid (79-08-3) → N'-(carboxymethyl)-piperazine (37478-58-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 24 - 72h;

Reference yield:

piperazine (110-85-0) + chloroacetic acid (79-11-8) → N'-(carboxymethyl)-piperazine (37478-58-3)

Guidance literature:

With sodium hydroxide; In water; for 12h;

DOI:10.1080/10799893.2016.1247863

upstream raw materials:

4-ethoxycarbonylpiperazine

bromoacetic acid

piperazine

chloroacetic acid

Downstream raw materials:

O²-(2,4-dinitro-5-(4-(carboxymethyl)piperazin-1-yl)) 1-(N-methylethanolamino)diazen-1-ium-1,2-diolate

C₁₅H₂₁N₃O₄

C₁₄H₁₈ClN₃O₃

C₁₅H₂₁N₃O₃

Refernces

• 1、 -. "NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION". Page/Page column 114; 115. . Retrieved 2018/09/25.
• 2、 -. "NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS". . . Retrieved 2010/08/07.