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

Base Information

• Chemical Name: (4-Benzyl-piperazin-1-yl)-acetic acid
• CAS No.: 119929-87-2
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.298
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10362787
• Mol file: 119929-87-2.mol

Synonyms:(4-Benzyl-piperazin-1-yl)-acetic acid;119929-87-2;2-(4-benzylpiperazin-1-yl)acetic acid;(4-benzylpiperazin-1-yl)acetic acid;4-(phenylmethyl)-1-Piperazineacetic acid;MFCD05668053;4-benzylpiperazinoacetic acid;SCHEMBL2717435;DTXSID10362787;N-benzyl,N'-carboxymethylpiperazine;BBL012005;STK802712;(4-Benzyl-piperazin-1-yl)-aceticacid;(4-benzyl-piperazin-1-yl)acetic acid;AKOS000101749;NS-03120;A4621;BB 0219254;CS-0270002;FT-0678779;EN300-12950;E86956;SR-01000068124;(4-Benzyl-piperazin-1-yl)-aceticaciddihydrochloride;SR-01000068124-1

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

Chemical Property:

• Melting Point: 84-85 °C(Solv: benzene (71-43-2))
• Boiling Point: 384.6±32.0 °C(Predicted)
• PKA: 1.85±0.10(Predicted)
• PSA: 43.78000
• Density: 1.176±0.06 g/cm3(Predicted)
• LogP: 0.76460
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)CC(=O)O
• Uses: (4-Benzyl-piperazin-1-yl)-acetic Acid

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

There total 7 articles about (4-Benzyl-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%

ethyl 2-(4-benzylpiperazin-1-yl)acetate (23173-76-4) → 1-benzyl-4-carboxymethylpiperazine (119929-87-2)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/jm0210921

Reference yield:

methanol (67-56-1) + (4-benzyl-piperazine-1-yl)-acetic acid methyl ester (179869-10-4) → 1-benzyl-4-carboxymethylpiperazine (119929-87-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water;

Reference yield:

1-phenylmethylpiperazine (2759-28-6) → 1-benzyl-4-carboxymethylpiperazine (119929-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / Et₃N / toluene / 20 °C

2: 100 percent / aq. NaOH / methanol / 20 °C

With sodium hydroxide; triethylamine; In methanol; toluene;

DOI:10.1021/jm0210921

upstream raw materials:

ethyl 2-(4-benzylpiperazin-1-yl)acetate

1-phenylmethylpiperazine

methanol

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

Downstream raw materials:

N₁-(2-phenylethyl)-(2R)-2-{[(4-benzylpiperazino)methyl]carboxamido}-3-[1-(tert-butoxycarbonyl)-3-indolyl]propanamide

2-(4-benzylpiperazin-1-yl)-N-(2-hydroxyphenethyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2-hydroxybenzyl)acetamide

1-(1-(2-(4-benzylpiperazin-1-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea