Tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
• CAS No.: 138227-62-0
• Molecular Formula: C16H22N2O5
• Molecular Weight: 322.361
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60383402
• Nikkaji Number: J1.648.089D
• Wikidata: Q82175094
• Mol file: 138227-62-0.mol

Synonyms:138227-62-0;tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate;1-BOC-4-(4-nitrophenoxy)piperidine;4-(4-Nitro-phenoxy)piperidine-1-carboxylic acid tert-butyl ester;SCHEMBL596980;DTXSID60383402;UNNMTKGKCWNQNU-UHFFFAOYSA-N;4-(4-Nitrophenoxy)piperidine-1-carboxylic acid tert-butyl ester;AB1223;MFCD06200882;AKOS015836926;TERT-BUTYL 4-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;1N-Boc 4-(4'-nitrophenyl) piperidine;BS-21374;FT-0651565;1N-BOC-4-(4'-NITROPHENOXY) PIPERIDINE;1-t-butoxycarbonyl-4-(4-nitrophenoxy)piperidine;EN300-7365985;4-(1-t-butoxycarbonylpiperidin-4-yloxy)nitrobenzene;tert-butyl4-(4-nitrophenoxy)piperidine-1-carboxylate;tert-butyl 4-(4-nitrophenoxyl)piperidine-1-carboxylate;4-(N-(t-butoxycarbonyl)piperidin-4-yl)oxy-1-nitrobenzene;1,1-dimethylethyl 4-(4-nitrophenoxy)-1-piperidinecarboxylate;4-(4-nitro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester;4-(4-Nitrophenoxy)-1-piperidinecarboxylic acid tert-butyl ester;1-Piperidinecarboxylic acid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester

Chemical Property of Tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate

Chemical Property:

• Melting Point: 99 °C
• Boiling Point: 453.7 °C at 760 mmHg
• Flash Point: 228.2 °C
• PSA: 84.59000
• Density: 1.211 g/cm³
• LogP: 3.83420
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 322.15287181
• Heavy Atom Count: 23
• Complexity: 413

Purity/Quality:

98%min ^*data from raw suppliers

1-BOC-4-(4-nitrophenoxy)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate

There total 13 articles about Tert-butyl 4-(4-nitrophenoxy)piperidine-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: 99.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate (138227-62-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

Reference yield: 99.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate (138227-62-0)

Guidance literature:

4-nitro-phenol; With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 ℃; for 0.166667h;

t-butyl 4-hydroxy piperidine-1-carboxylate; In tetrahydrofuran; at 20 ℃; for 2.5h;

Reference yield: 99.0%

→ tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate (138227-62-0)

Guidance literature:

upstream raw materials:

4-nitro-phenol

t-butyl 4-hydroxy piperidine-1-carboxylate

4-Fluoronitrobenzene

ethyl acetate

Downstream raw materials:

4-(4-nitrophenoxy)piperidine

4-(4-nitrophenoxy)piperidine hydrochloride

tert-butyl 4-(4-aminophenoxy)piperidine-1-carboxylate

YM-60828

Refernces

• 1、 -. "PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER". Page/Page column 93-94. . Retrieved 2021/04/23.
• 2、 -. "COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF". Paragraph 0358; 0360. . Retrieved 2020/04/24.