(4-Methyl-piperazin-1-yl)-acetic acid

Base Information

• Chemical Name: (4-Methyl-piperazin-1-yl)-acetic acid
• CAS No.: 54699-92-2
• Molecular Formula: C7H14N2O2
• Molecular Weight: 158.2
• Hs Code.: 2933599090
• European Community (EC) Number: 803-916-6
• DSSTox Substance ID: DTXSID70376401
• Nikkaji Number: J2.965.346A
• ChEMBL ID: CHEMBL1718660
• Mol file: 54699-92-2.mol

Synonyms:54699-92-2;(4-Methyl-piperazin-1-yl)-acetic acid;2-(4-Methylpiperazin-1-yl)acetic acid;4-methyl-1-piperazineacetic acid;(4-methylpiperazin-1-yl)acetic acid;(4-methyl-1-piperazinyl)acetic acid;4-methyl-1-piperazine acetic acid;4-Methylpiperazine-1-acetic acid;1-PIPERAZINEACETIC ACID, 4-METHYL-;MFCD03444554;(Carboxymethyl)-N'-methylpiperazine;2-(4-methylpiperazin-1-yl)aceticacid;MLS000123118;BAS 03840590;SCHEMBL15140;4-methylpiperazine acetic acid;N-methyl piperazino acetic acid;4-methyl-1-piperazineaceticacid;4-methylpiperazin-1-acetic acid;CHEMBL1718660;DTXSID70376401;JCXZKUZXVQKENT-UHFFFAOYSA-N;HMS2451H17;2-(N-methylpiperazino) acetic acid;4-methylpiperazin-1-yl acetic acid;4-methyl-piperazin-1-yl acetic acid;BBL012386;STK392445;AKOS000271324;AB15444;CS-W003084;2-(4-methyl-1-piperazinyl)acetic acid;AC-23462;DS-11098;SMR000123790;SY013057;2-(4-Methyl-piperazin-1-yl)-acetic acid;A7942;AM20100350;BB 0219255;FT-0604784;EN300-299483;(4-Methyl-1-piperazinyl)acetic acid, AldrichCPR;J-506069

Chemical Property of (4-Methyl-piperazin-1-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Melting Point: 130-133 °C
• Refractive Index: 1.496
• Boiling Point: 278.1 °C at 760 mmHg
• PKA: 1.85±0.10(Predicted)
• Flash Point: 122 °C
• PSA: 43.78000
• Density: 1.123 g/cm³
• LogP: -0.80580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.105527694
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

(Carboxymethyl)-N''-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC(=O)O
• Uses: (Carboxymethyl)-N'-methylpiperazine acts as a potential antibacterial compound, due to its nocathiacin analog. (Carboxymethyl)-N''-methylpiperazine acts as a potential antibacterial compound, due to its nocathiacin analog.

Technology Process of (4-Methyl-piperazin-1-yl)-acetic acid

There total 11 articles about (4-Methyl-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: 100.0%

methyl 2-(4-methylpiperazin-1-yl)acetate (5780-70-1) → (4-Methyl-piperazin-1-yl)-acetic acid (54699-92-2)

Guidance literature:

methyl 2-(4-methylpiperazin-1-yl)acetate; With potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 10h;

With hydrogenchloride; In water;

DOI:10.1021/ja2099003

Reference yield: 90.0%

diethyl ether (60-29-7,927820-24-4) → (4-Methyl-piperazin-1-yl)-acetic acid (54699-92-2)

Guidance literature:

In 1-acetoxy-2-(4-methyl-piperazino)-ethane; water;

Reference yield: 82.0%

→ (4-Methyl-piperazin-1-yl)-acetic acid (54699-92-2)

Guidance literature:

upstream raw materials:

1-(2-ethoxy-2-oxoethyl)-4-methylpiperazine

tert-butyl 2-(4-methylpiperazin-1-yl)acetate

1-methyl-piperazine

Benzyl bromoacetate

Downstream raw materials:

1-(4-methyl-1-piperazinylacetyl)-4-benzyl-thiosemicarbazide

(4-{1-[2-(4-methyl-piperazin-1-yl)-acetyl]-piperidin-4-yl}-phenyl)-carbamic acid tert-butyl ester

3-(1-[2-(4-methyl-piperazin-1-yl)-acetyl]-piperidin-4-yl-1-phenyl)-carbamic acid tert-butyl ester

tert-butyl 5-(2-(3-(2-(4-methylpiperazin-1-yl)acetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate