4-(4-acetylpiperazin-1-yl)benzoic Acid

Base Information

Chemical Name:4-(4-acetylpiperazin-1-yl)benzoic Acid
CAS No.:104080-55-9
Molecular Formula:C13H16N2O3
Molecular Weight:248.282
Hs Code.:2933599090
DSSTox Substance ID:DTXSID50366007
Wikidata:Q82151055
Mol file:104080-55-9.mol

Synonyms:4-(4-acetylpiperazin-1-yl)benzoic Acid;104080-55-9;Benzoic acid, 4-(4-acetyl-1-piperazinyl)-;SCHEMBL14802425;DTXSID50366007;MFCD05862631;AKOS000260509;TS-00760;CS-0325380;EN300-1229321;F1929-0812

Suppliers and Price of 4-(4-acetylpiperazin-1-yl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
4-(4-Acetylpiperazin-1-yl)benzoic acid
1 g
$ 352.00

Matrix Scientific
4-(4-Acetylpiperazin-1-yl)benzoic acid 97%
1g
$ 414.00

Atlantic Research Chemicals
4-(4-Acetylpiperazin-1-yl)benzoicacid 95%
1gm:
$ 194.40

Apolloscientific
4-(4-Acetylpiperazin-1-yl)benzoic acid
1g
$ 298.00

American Custom Chemicals Corporation
4-(4-ACETYLPIPERAZIN-1-YL)BENZOIC ACID 95.00%
1G
$ 769.60

AK Scientific
4-(4-Acetylpiperazin-1-yl)benzoicacid
1g
$ 448.00

AK Scientific
4-(4-Acetylpiperazin-1-yl)benzoicacid
500g
$ 298.00

Total 6 raw suppliers

Chemical Property of 4-(4-acetylpiperazin-1-yl)benzoic Acid

Chemical Property:

Boiling Point:501.2±45.0 °C(Predicted)
PKA:5.12±0.10(Predicted)
PSA：60.85000
Density:1.263±0.06 g/cm3(Predicted)
LogP:1.05620
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:248.11609238
Heavy Atom Count:18
Complexity:316

Purity/Quality:

99%, ^*data from raw suppliers

4-(4-Acetylpiperazin-1-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(4-acetylpiperazin-1-yl)benzoic Acid

There total 5 articles about 4-(4-acetylpiperazin-1-yl)benzoic 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: 68.0%

: ethyl 4-(4-acetylpiperazin-1-yl)benzoate

: 104080-55-9
4-(4-acetylpiperazin-1-yl)benzoic acid

Guidance literature:: With water; sodium hydroxide; In methanol;

Reference yield:

: 80518-57-6
ethyl 4-(piperazin-1-yl)benzoate

: 104080-55-9
4-(4-acetylpiperazin-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / ethyl acetate / 48 h / 20 °C

2: sodium hydroxide; water / methanol

With water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In methanol; ethyl acetate;

Reference yield:

: 451-46-7
4-fluorobenzoic acid ethyl ester

: 104080-55-9
4-(4-acetylpiperazin-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate / dimethyl sulfoxide / 120 °C

2: hydrogenchloride / ethanol / 1 h / 20 °C

3: triethylamine / dichloromethane / 0 °C

4: sodium hydroxide / methanol; water / 20 °C

With hydrogenchloride; potassium carbonate; triethylamine; sodium hydroxide; In methanol; ethanol; dichloromethane; water; dimethyl sulfoxide;
DOI:10.1016/j.ejmech.2021.113987