tert-Butyl 2-(4-aminophenoxy)ethylcarbamate

Base Information

• Chemical Name: tert-Butyl 2-(4-aminophenoxy)ethylcarbamate
• CAS No.: 159184-15-3
• Molecular Formula: C13H20N2O3
• Molecular Weight: 252.313
• Hs Code.: 2924299090
• European Community (EC) Number: 866-279-3
• DSSTox Substance ID: DTXSID10592562
• Wikidata: Q72510839
• Mol file: 159184-15-3.mol

Synonyms:tert-Butyl 2-(4-aminophenoxy)ethylcarbamate;159184-15-3;tert-butyl N-[2-(4-aminophenoxy)ethyl]carbamate;OTAVA-BB 1398878;tert-Butyl (2-(4-aminophenoxy)ethyl)carbamate;MFCD11922406;tert-Butyl [2-(4-aminophenoxy)ethyl]carbamate;SCHEMBL5420417;DTXSID10592562;4-[2-(Boc-amino)ethoxy]aniline;IBXPLCWUDLAXJC-UHFFFAOYSA-N;BCP31418;AKOS010261409;PS-4000;SY042891;tert-Butyl2-(4-aminophenoxy)ethylcarbamate;DB-022584;AM20030071;CS-0154357;tert-Butyl[2-(4-aminophenoxy)ethyl]carbamate;EN300-132612;A883319;W-205836;N-(tert-butoxycarbonyl)-2-(4-aminophenoxy)ethylamine;Z733881462;2-(4-Aminophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester;tert-Butyl N-[2-(4-aminophenoxy)ethyl]carbamate;[2-(4-AMino-phenoxy)-ethyl]-carbaMic acid tert-butyl ester

Chemical Property of tert-Butyl 2-(4-aminophenoxy)ethylcarbamate

Chemical Property:

• Vapor Pressure: 2.55E-07mmHg at 25°C
• Boiling Point: 421.7oC at 760 mmHg
• PKA: 12.26±0.46(Predicted)
• Flash Point: 208.8oC
• PSA: 73.58000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 3.14440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 252.14739250
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-(4-Aminophenoxy)ethylcarbamate ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)N

Technology Process of tert-Butyl 2-(4-aminophenoxy)ethylcarbamate

There total 6 articles about tert-Butyl 2-(4-aminophenoxy)ethylcarbamate 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%

2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-14-2) → 2-(4-Aminophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-15-3)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; In methanol; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2009.05.085

Reference yield:

2-(4-Nitrophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-14-2) + ethyl acetate n-hexane → 2-(4-Aminophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-15-3)

Guidance literature:

With ammonium formate; palladium; In ethanol;

Reference yield:

2-(N-tert-butoxycarbonylamino)ethanol (26690-80-2) → 2-(4-Aminophenoxy)ethylcarbamic acid 1,1-dimethylethyl ester (159184-15-3)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 0 - 20 °C

2: 5% Pd(II)/C(eggshell); hydrogen / methanol / 16 h / 20 °C

With di-isopropyl azodicarboxylate; 5% Pd(II)/C(eggshell); hydrogen; triphenylphosphine; In tetrahydrofuran; methanol; 1: Mitsunobu reaction;

DOI:10.1016/j.bmc.2009.05.085

upstream raw materials:

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

4-nitro-phenol

2-(N-tert-butoxycarbonylamino)ethanol

4-Fluoronitrobenzene

Downstream raw materials:

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

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

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

N-(3,4-dichlorophenyl)-2-(2-(4-(methylsulfonamido)-phenoxy)ethylamino) acetamide