1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine

Base Information

• Chemical Name: 1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine
• CAS No.: 67915-01-9
• Molecular Formula: C₁₃H₁₈N₂O₃
• Molecular Weight: 250.298
• DSSTox Substance ID: DTXSID10511536
• Wikidata: Q82370360
• Mol file: 67915-01-9.mol

Synonyms:1-(3-hydroxyphenyl)-4-ethoxycarbonyl-piperazine;67915-01-9;ethyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate;SCHEMBL11211555;DTXSID10511536;MFCD16090025;AKOS005073806;SS-3909

Chemical Property of 1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 250.13174244
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine

There total 2 articles about 1-(3-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine 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: 95.0%

chloroformic acid ethyl ester (541-41-3) + 3-(piperazin-1-yl)phenol (59817-32-2) → ethyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate (67915-01-9)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.saa.2019.117517

Reference yield:

→ ethyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate (67915-01-9)

Guidance literature:

3-(1-Piperazinyl)phenol*2HBr, ClCO2Et/K2CO3;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + ethyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate (67915-01-9) → ethyl 4-(4-formyl-3-hydroxyphenyl)piperazine-1-carboxylate

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; for 0.5h; Cooling with ice;

ethyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate; at 0 ℃; for 2h;

upstream raw materials:

chloroformic acid ethyl ester

3-(piperazin-1-yl)phenol

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