Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate
• CAS No.: 170911-92-9
• Molecular Formula: C15H23N3O2
• Molecular Weight: 277.367
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20451853
• Nikkaji Number: J1.233.062F
• Wikidata: Q72440772
• Mol file: 170911-92-9.mol

Synonyms:170911-92-9;Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester;1-BOC-4-(4-AMINOPHENYL)PIPERAZINE;4-(4-Boc-piperazin-1-yl)aniline;1-Boc-4-(4-amino-phenyl)-piperazine;MFCD04115065;4-(4-Aminophenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-[4-aminophenyl]-piperazine-1-carboxylic acid tert-butyl ester;SCHEMBL55667;DTXSID20451853;RXFHRKPNLPBDGE-UHFFFAOYSA-N;AKOS009506204;AS-9370;CS-W005015;SB34213;AC-30022;AM803321;SY025098;A3767;BB 0261063;FT-0604261;EN300-237589;4-(4-tert-Butyloxycarbonyl-piperazin-1-yl)aniline;1-terbutyloxycarbonyl-4-(4-aminophenyl)-piperazine;J-524623;Tert-butyl4-(4-aminophenyl)piperazine-1-carboxylate;1-(tert-butoxycarbonyl)-4-(4-aminophenyl)-piperazine;N-tert-butyloxycarbonyl-N'-(4-aminophenyl)-piperazine;tert-butyl 4-(4-aminophenyl)-1-piperazinecarboxylate;tert-butyl 4-(4-aminophenyl)-piperazine-1-carboxylate;4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUTYRICACID;Z425389938;1-Amino-4-(N-tert-butyloxycarbonyl-N'-piperazinyl)benzene;4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)aniline;4-(4-Amino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(4-amino-phenyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester;4-(4-aminophenyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 441.139 °C at 760 mmHg
• PKA: 7.69±0.10(Predicted)
• Flash Point: 220.593 °C
• PSA: 58.80000
• Density: 1.145 g/cm³
• LogP: 2.91000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.17902698
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

98% ^*data from raw suppliers

1-Boc-4-(4-aminophenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
• Uses: 1-Boc-4-(4-aminophenyl)piperazine is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff.

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

There total 20 articles about Tert-butyl 4-(4-aminophenyl)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%

tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate (182618-86-6) → 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine (170911-92-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethyl acetate; for 2h; under 760.051 Torr;

Reference yield: 100.0%

→ 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine (170911-92-9)

Guidance literature:

Reference yield: 95.0%

aniline (62-53-3) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine (170911-92-9)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; In 1,2-dichloro-ethane; for 10h; Reagent/catalyst; Irradiation;

upstream raw materials:

tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate

4-Fluoronitrobenzene

1-t-Butoxycarbonylpiperazine

di-tert-butyl dicarbonate

Downstream raw materials:

4-[4-(8-cyclopentyl-6-ethyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)phenyl]-piperazine-1-carboxylic acid tert-butyl ester

2-[4-(4-tert-butoxycarbonylpiperazin-1-yl)phenylamino]-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester

4-[4-(8-cyclopentyl-6-ethynyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)phenyl]-piperazine-1-carboxylic acid tert-butyl ester

2-[4-(4-tert-butoxycarbonylpiperazin-1-yl)phenylamino]-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Refernces

• 1、 Yokoo, Hidetomo,Shibata, Norihito,Endo, Akinori,Ito, Takahito,Yanase, Yuta,Murakami, Yuki,Fujii, Kiyonaga,Hamamura, Kengo,Saeki, Yasushi,Naito, Mikihiko,Aritake, Kosuke,Demizu, Yosuke. "Discovery of a Highly Potent and Selective Degrader Targeting Hematopoietic Prostaglandin D Synthase via in Silico Design". . p. 15868 - 15882. Retrieved 2021/11/01.
• 2、 -. "Indazole formamide compound as well as preparation method and application thereof". Paragraph 0035; 0048-0049; 0065; 0070-0071; 0137; 0141-0142. . Retrieved 2021/02/16.