(4-Hydroxy-phenyl)-piperazin-1-yl-methanone

Base Information

• Chemical Name: (4-Hydroxy-phenyl)-piperazin-1-yl-methanone
• CAS No.: 563538-33-0
• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.244
• Hs Code.: 2933599090
• European Community (EC) Number: 673-960-7
• DSSTox Substance ID: DTXSID50374743
• Nikkaji Number: J1.894.797H
• Wikidata: Q72483319
• Mol file: 563538-33-0.mol

Synonyms:563538-33-0;(4-Hydroxy-phenyl)-piperazin-1-yl-methanone;(4-Hydroxyphenyl)(piperazin-1-yl)methanone;(4-Hydroxyphenyl)piperazin-1-yl-methanone;4-(piperazine-1-carbonyl)phenol;4-(piperazin-1-ylcarbonyl)phenol;(4-hydroxyphenyl)-piperazin-1-ylmethanone;4-(Piperazinocarbonyl)phenol;SCHEMBL4505138;DTXSID50374743;GS3270;MFCD04116558;AKOS000126545;FS-1616;(4-hydroxyphenyl)piperazin-1-ylmethanone;CS-0353932;FT-0731617;EN300-57788

Chemical Property of (4-Hydroxy-phenyl)-piperazin-1-yl-methanone

Chemical Property:

• Vapor Pressure: 9.55E-08mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 422.8°C at 760 mmHg
• Flash Point: 209.5°C
• PSA: 52.57000
• Density: 1.220±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 0.70430
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

(4-HYDROXYPHENYL)PIPERAZIN-1-YL-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=C(C=C2)O

Technology Process of (4-Hydroxy-phenyl)-piperazin-1-yl-methanone

There total 1 articles about (4-Hydroxy-phenyl)-piperazin-1-yl-methanone 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-hydroxy-benzoic acid (99-96-7) → (4-hydroxy-phenyl)-piperazin-1-yl-methanone (563538-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h / 20 °C

1.2: 20 °C

2.1: trifluoroacetic acid / chloroform / 8 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In chloroform; N,N-dimethyl-formamide;

DOI:10.1002/ardp.201700022

Reference yield:

(4-hydroxy-phenyl)-piperazin-1-yl-methanone (563538-33-0) + (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid (486460-00-8,922178-94-7) → C26H30F3N3O5 (1395397-48-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine;

DOI:10.1016/j.bmcl.2012.07.019

upstream raw materials:

4-hydroxy-benzoic acid

Downstream raw materials:

C₂₆H₃₀F₃N₃O₅

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