tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate
• CAS No.: 159184-14-2
• Molecular Formula: C13H18N2O5
• Molecular Weight: 282.296
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50592561
• Wikidata: Q82486736
• Mol file: 159184-14-2.mol

Synonyms:tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate;159184-14-2;tert-butyl N-[2-(4-nitrophenoxy)ethyl]carbamate;MFCD26743665;tert-Butyl [2-(4-nitrophenoxy)ethyl]carbamate;SCHEMBL5402398;DTXSID50592561;LDOYKECYRDLCDM-UHFFFAOYSA-N;N-Boc-2-(4-nitrophenoxy)ethanamine;AKOS022171751;DS-2989;SY115302;DB-256323;CS-0154358;tert-Butyl(2-(4-nitrophenoxy)ethyl)carbamate;EN300-7390630;A883320;N-(tert-butoxycarbonyl)-2-(4-nitrophenoxy)ethylamine;2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester

Chemical Property of tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate

Chemical Property:

• Boiling Point: 443.3±25.0 °C(Predicted)
• PKA: 11.86±0.46(Predicted)
• PSA: 96.87000
• Density: 1.192±0.06 g/cm3(Predicted)
• LogP: 3.22590
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 282.12157168
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-(4-nitrophenoxy)ethyl)carbamate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate

There total 4 articles about tert-Butyl (2-(4-nitrophenoxy)ethyl)carbamate 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: 82.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-(N-tert-butoxycarbonylamino)ethanol (26690-80-2) → 2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-14-2)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2009.05.085

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 4-Nitrophenyl 2-aminoethyl ether (60814-16-6) → 2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-14-2)

Guidance literature:

In dichloromethane;

Reference yield:

2-(N-tert-butoxycarbonylamino)ethanol (26690-80-2) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-14-2)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2014.04.095

upstream raw materials:

4-nitro-phenol

2-(N-tert-butoxycarbonylamino)ethanol

di-tert-butyl dicarbonate

4-Nitrophenyl 2-aminoethyl ether

Downstream raw materials:

2-(4-Aminophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester

N-(4-(2-aminoethoxy)phenyl)methanesulfonamide

tert-butyl N-2-(4-(methylsulfonamido)phenoxy)ethylcarbamate

N-(4-(2-aminoethoxy)phenyl)methanesulfonamide hydrochloride