tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate
• CAS No.: 234082-33-8
• Molecular Formula: C18H26N2O4
• Molecular Weight: 334.415
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20470983
• Wikidata: Q82299355
• Mol file: 234082-33-8.mol

Synonyms:234082-33-8;tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate;Ethyl 4-(4-BOC-piperazino)benzoate;Tert-butyl 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylate;MFCD09031688;TERT-BUTYL 4-[4-(ETHOXYCARBONYL)PHENYL]PIPERAZINE-1-CARBOXYLATE;AB3390;SCHEMBL1742370;DTXSID20470983;SBIWRFCYFYWFLT-UHFFFAOYSA-N;AKOS015965573;1-Piperazinecarboxylic acid, 4-[4-(ethoxycarbonyl)phenyl]-,1,1-dimethylethyl ester;4-(4-ETHOXYCARBONYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;BS-32165;SY258710;CS-0151755;FT-0740780;1-Boc-4-(4-(ethoxycarbonyl)phenyl)piperazine;ethyl 4-[4-(tert-butyloxycarbonyl)-1-piperazinyl]benzoate

Chemical Property of tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 463.7±40.0 °C(Predicted)
• PKA: 2.47±0.10(Predicted)
• PSA: 59.08000
• Density: 1.136±0.06 g/cm3(Predicted)
• LogP: 2.92330
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 334.18925731
• Heavy Atom Count: 24
• Complexity: 431

Purity/Quality:

99.90% ^*data from raw suppliers

Ethyl4-(4-BOC-piperazino)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C

Technology Process of tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate

There total 6 articles about tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)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: 87.0%

Ethyl 4-bromobenzoate (5798-75-4) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester (234082-33-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; ruphos; In toluene; at 95 ℃; Inert atmosphere;

Reference yield: 78.0%

4-fluorobenzoic acid ethyl ester (451-46-7) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester (234082-33-8)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 5h;

Reference yield: 60.0%

ethyl 4-oxocyclohexane-1-carboxylate (17159-79-4) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester (234082-33-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tert-butylammonium hexafluorophosphate(V); acetic acid; In acetonitrile; at 60 ℃; for 20h; Electrochemical reaction; Schlenk technique;

DOI:10.1021/acs.orglett.1c04129

upstream raw materials:

di-tert-butyl dicarbonate

ethyl 4-(piperazin-1-yl)benzoate

4-fluorobenzoic acid ethyl ester

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)benzoic acid

4-[4-(2-benzenesulfonylamino-2-tert-butoxycarbonyl-ethylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

(S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-benzoylamino)-propionic acid

{(S)-1-[(S)-2-(4-{4'-[4-(4-cyclopropanecarbonyl-piperazin-1-yl)-benzoylamino]-biphenyl-4-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester