4-Aminophenyl tert-butyl carbonate

Base Information

• Chemical Name: 4-Aminophenyl tert-butyl carbonate
• CAS No.: 95932-39-1
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• DSSTox Substance ID: DTXSID00466884
• Nikkaji Number: J1.757.219I
• Wikidata: Q82293539
• Mol file: 95932-39-1.mol

Synonyms:4-aminophenyl tert-butyl carbonate;95932-39-1;(4-aminophenyl) Tert-butyl Carbonate;4-aminophenyltert-butylcarbonate;SCHEMBL2366870;4-Aminophenyl t-butyl carbonate;DTXSID00466884;CDNPVHFIIFBSNH-UHFFFAOYSA-N;AKOS030611870;SB78469;CS-0166279;EN300-70109;Z1123806728;4-aminophenyl tert-butyl carbonate? (Cabozantinib Impurity

Chemical Property of 4-Aminophenyl tert-butyl carbonate

Chemical Property:

• PSA: 61.55000
• LogP: 3.16390
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

95%+HPLC ^*data from raw suppliers

4-aminophenyltert-butylcarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)OC1=CC=C(C=C1)N

Technology Process of 4-Aminophenyl tert-butyl carbonate

There total 5 articles about 4-Aminophenyl tert-butyl carbonate 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: 94.0%

4-amino-phenol (123-30-8) + 1-(tert-butoxy)-2-(tert-butoxy)carbonyl-1,2-dihydroisoquinoline (404586-94-3) → carbonic acid 4-aminophenyl ester tert-butyl ester (95932-39-1) + tert-butyl (4-((tert-butoxycarbonyl)oxy)phenyl)carbamate (95932-40-4)

Guidance literature:

In benzene; for 8h; Heating;

DOI:10.1021/ol017183u

Reference yield:

tert-Butyl 4-nitrophenyl carbonate (13303-10-1) → carbonic acid 4-aminophenyl ester tert-butyl ester (95932-39-1)

Guidance literature:

With hydrogen; palladium; In ethyl acetate; at 20 ℃; for 24h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 4-amino-phenol (123-30-8) → carbonic acid 4-aminophenyl ester tert-butyl ester (95932-39-1) + tert-butyl (4-((tert-butoxycarbonyl)oxy)phenyl)carbamate (95932-40-4)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; water; at 0 ℃; for 2h;

upstream raw materials:

di-tert-butyl dicarbonate

4-amino-phenol

1-(tert-butoxy)-2-(tert-butoxy)carbonyl-1,2-dihydroisoquinoline

tert-Butyl 4-nitrophenyl carbonate

Downstream raw materials:

carbonic acid (RS)-4-<(2,4-dibromobutyryl)amino>phenyl ester tert-butyl ester

carbonic acid (RS)-4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl ester tert-butyl ester

(6R,7R)-7-tert-Butoxycarbonylamino-3-[1-(4-tert-butoxycarbonyloxy-phenyl)-2-oxo-pyrrolidin-(3E)-ylidenemethyl]-5,8-dioxo-5λ⁴-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

(6R,7R)-7-tert-Butoxycarbonylamino-3-[1-(4-tert-butoxycarbonyloxy-phenyl)-2-oxo-pyrrolidin-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

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