Tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
• CAS No.: 198627-86-0
• Molecular Formula: C15H22N2O3
• Molecular Weight: 278.351
• European Community (EC) Number: 840-041-9
• DSSTox Substance ID: DTXSID60595422
• Nikkaji Number: J2.896.485D
• Wikidata: Q82490428
• Mol file: 198627-86-0.mol

Synonyms:198627-86-0;tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate;1-Boc-4-(3-hydroxyphenyl)piperazine;1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-4-(3-HYDROXY-PHENYL)-PIPERAZINE;MFCD04115061;1-PIPERAZINECARBOXYLIC ACID, 4-(3-HYDROXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER;4-(3-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;SCHEMBL1958401;DTXSID60595422;MIQHJGPQPMQVOT-UHFFFAOYSA-N;1-(3-hydroxyphenyl)piperazine-4-carboxylic acid tert-butyl ester;AB8724;AKOS024258350;AB19542;AS-44910;SY023341;DB-065975;CS-0213359;EN300-80825;A814017;t-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate;Z1224461964;1,1-Dimethylethyl 4-(3-Hydroxyphenyl)-1-piperazinecarboxylate;1-(3-Hydroxyphenyl)piperazine-4-carboxylicacidtert-butylester;4-(3-hydroxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 435.8±40.0 °C(Predicted)
• PKA: 10.33±0.10(Predicted)
• PSA: 53.01000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 2.45220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 278.16304257
• Heavy Atom Count: 20
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Hydroxy-phenyl)-piperazine-4-carboxylicacidtert-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate

There total 7 articles about Tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate 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%

di-tert-butyl dicarbonate (24424-99-5) + 3-(piperazin-1-yl)phenol (59817-32-2) → 1,1-dimethylethyl 4-(3-hydroxyphenyl)-1-piperazinecarboxylate (198627-86-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield: 100.0%

4-(3-triisopropylsilanyloxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (862261-23-2) → 1,1-dimethylethyl 4-(3-hydroxyphenyl)-1-piperazinecarboxylate (198627-86-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2005.05.043

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-(piperazin-1-yl)phenol (59817-32-2) + 4-(3-methoxyphenyl)piperazine (16015-71-7) → 1,1-dimethylethyl 4-(3-hydroxyphenyl)-1-piperazinecarboxylate (198627-86-0)

Guidance literature:

upstream raw materials:

4-(3-triisopropylsilanyloxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

3-(piperazin-1-yl)phenol

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

4-[3-(2,2,2-Trifluoro-ethoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

C₃₀H₃₂ClN₃O₅S₂

tert-butyl 4-(3-(3-chloro-5-(N-(4-methoxybenzyl)-N-(naphthalen-1-ylmethyl)sulfamoyl)thiophen-2-yloxy)phenyl)piperazine-1-carboxylate

1-(3-ethoxyphenyl)piperazine