Tert-butyl (3,4-dimethoxyphenyl)carbamate

Base Information

• Chemical Name: Tert-butyl (3,4-dimethoxyphenyl)carbamate
• CAS No.: 102421-43-2
• Molecular Formula: C13H19NO4
• Molecular Weight: 253.298
• DSSTox Substance ID: DTXSID40547843
• Nikkaji Number: J1.276.083C
• Wikidata: Q82426336
• Mol file: 102421-43-2.mol

Synonyms:tert-butyl (3,4-dimethoxyphenyl)carbamate;102421-43-2;TERT-BUTYL N-(3,4-DIMETHOXYPHENYL)CARBAMATE;N-(3,4-dimethoxyphenyl)-carbamic acid 1,1-dimethylethyl ester;SCHEMBL10809983;DTXSID40547843;RBNWQLLDIHMYTK-UHFFFAOYSA-N;AKOS005274986;tert-butyl(3,4-dimethoxyphenyl)carbamate;CS-0329830;F12621

Chemical Property of Tert-butyl (3,4-dimethoxyphenyl)carbamate

Chemical Property:

• PSA: 56.79000
• LogP: 3.12380
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 253.13140809
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl(3,4-dimethoxyphenyl)carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)OC)OC

Technology Process of Tert-butyl (3,4-dimethoxyphenyl)carbamate

There total 1 articles about Tert-butyl (3,4-dimethoxyphenyl)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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3,4-dimethoxyaniline (6315-89-5) → N-((1,1-dimethylethyl)oxycarbonyl)-3,4-dimethoxyaniline (102421-43-2)

Guidance literature:

copper(II) bis(tetrafluoroborate); at 30 - 33 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2005.12.044

Reference yield: 92.0%

methanol (67-56-1) + N-((1,1-dimethylethyl)oxycarbonyl)-3,4-dimethoxyaniline (102421-43-2) → N-(tert-butoxycarbonyl)-3-methoxy-p-benzoquinone imine dimethyl acetal

Guidance literature:

With [bis(acetoxy)iodo]benzene; triethylamine; at 20 ℃; for 2h;

DOI:10.1039/c2ob25089f

Reference yield: 91.0%

N-((1,1-dimethylethyl)oxycarbonyl)-3,4-dimethoxyaniline (102421-43-2) → tert-butyl N-(2-bromo-4,5-dimethoxyphenyl)carbamate

Guidance literature:

With N-Bromosuccinimide; In tetrahydrofuran; at -78 - 0 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.bmc.2021.116039

upstream raw materials:

di-tert-butyl dicarbonate

3,4-dimethoxyaniline

Downstream raw materials:

N-(tert-butoxycarbonyl)-3-methoxy-p-benzoquinone imine dimethyl ketal

6-amino-2,3-dimethoxybenzoic acid

6-((tert-butoxycarbonyl)amino)-2,3-dimethoxybenzoic acid

2-tert-Butoxycarbonylamino-4,5-dimethoxy-benzoic acid