(4-Acetylpiperazin-1-yl)acetic acid

Base Information

• Chemical Name: (4-Acetylpiperazin-1-yl)acetic acid
• CAS No.: 705941-45-3
• Molecular Formula: C8H14 N2 O3
• Molecular Weight: 186.21
• Hs Code.: 2933599090
• European Community (EC) Number: 673-888-6
• DSSTox Substance ID: DTXSID50365999
• ChEMBL ID: CHEMBL1525302
• Mol file: 705941-45-3.mol

Synonyms:705941-45-3;(4-Acetyl-piperazin-1-yl)-acetic acid;2-(4-acetylpiperazin-1-yl)acetic Acid;(4-acetylpiperazin-1-yl)acetic acid;1-Piperazineaceticacid, 4-acetyl-;(4-Acetyl-piperazin-1-yl)acetic acid;MFCD04116694;(4-ACETYL-PIPERAZIN-1-YL)-ACETICACID;MLS000685987;SCHEMBL791891;CHEMBL1525302;DTXSID50365999;HMS2590G15;2-(4-acetylpiperazin-1-yl)aceticAcid;AKOS000276257;2-(4-acetyl-1-piperazinyl)acetic acid;AM804258;AS-39485;SMR000324857;2-(4-ethanoylpiperazin-1-yl)ethanoic acid;CS-0037501;FT-0656730;VU0307958-2;EN300-237798;A836930;(4-acetyl-piperazin-1-yl)-acetic acid, AldrichCPR;F1929-0366

Chemical Property of (4-Acetylpiperazin-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 6.57E-07mmHg at 25°C
• Boiling Point: 382.4°C at 760 mmHg
• Flash Point: 185.1°C
• PSA: 60.85000
• Density: 1.224g/cm³
• LogP: -0.88910
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.10044231
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

NLT 98% ^*data from raw suppliers

(4-Acetyl-piperazin-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCN(CC1)CC(=O)O

Technology Process of (4-Acetylpiperazin-1-yl)acetic acid

There total 6 articles about (4-Acetylpiperazin-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-Acetyl-piperazine-1-yl)-acetic acid methyl ester (869720-23-0) → 2-(4-acetylpiperazin-1-yl)acetic acid (705941-45-3)

Guidance literature:

With lithium hydroxide monohydrate; water; In methanol; at 20 ℃;

Reference yield:

2-(piperazin-1-yl)acetic acid (496808-05-0) + acetyl chloride (75-36-5) → 2-(4-acetylpiperazin-1-yl)acetic acid (705941-45-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

1-Acetyl-4-(t-butyloxycarbonyl)piperazine → 2-(4-acetylpiperazin-1-yl)acetic acid (705941-45-3)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / 1,4-dioxane; water / 2 h / 20 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 3 h / 20 °C

3: water; lithium hydroxide monohydrate / methanol / 20 °C

With hydrogenchloride; lithium hydroxide monohydrate; water; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; methanol; water; acetonitrile;

upstream raw materials:

N-acetylpiperidine

(4-Acetyl-piperazine-1-yl)-acetic acid methyl ester

4-[(1,1-Dimethylethoxy)carbonyl]-1-piperazineacetic acid

2-(piperazin-1-yl)acetic acid

Refernces

• 1、 -. "HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE". . . Retrieved 2017/01/26.