N,N-DI-Boc-4-nitroaniline

Base Information

Chemical Name:N,N-DI-Boc-4-nitroaniline
CAS No.:395639-03-9
Molecular Formula:C₁₆H₂₂N₂O₆
Molecular Weight:338.36
Hs Code.:
DSSTox Substance ID:DTXSID60479091
Nikkaji Number:J1.604.033I
Wikidata:Q82312976
Mol file:395639-03-9.mol

Synonyms:N,N-DI-BOC-4-NITROANILINE;395639-03-9;SCHEMBL6916032;DTXSID60479091;AB3616;MFCD09953111;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-nitrophenyl)carbamate;SB83452

Suppliers and Price of N,N-DI-Boc-4-nitroaniline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
N,N-DI-Boc-4-nitroaniline 95+%
1g
$ 321.00

Crysdot
N,N-DI-Boc-4-nitroaniline 95+%
5g
$ 965.00

American Custom Chemicals Corporation
N,N-DI-BOC-4-NITROANILINE 95.00%
5MG
$ 503.90

Total 1 raw suppliers

Chemical Property of N,N-DI-Boc-4-nitroaniline

Chemical Property:

PSA：101.66000
LogP:4.79460
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:338.14778643
Heavy Atom Count:24
Complexity:450

Purity/Quality:: N,N-DI-Boc-4-nitroaniline 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)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C

Technology Process of N,N-DI-Boc-4-nitroaniline

There total 2 articles about N,N-DI-Boc-4-nitroaniline 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%

: 24424-99-5
di-tert-butyl dicarbonate

: 100-01-6,104810-17-5
4-nitro-aniline

: 395639-03-9
bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate

Guidance literature:: dmap; In acetonitrile; for 16h; Reflux;

Reference yield: 26.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 100-01-6,104810-17-5
4-nitro-aniline

: 18437-63-3
tert-butyl N-(4-nitrophenyl)carbamate

: 395639-03-9
bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate

Guidance literature:: In tert-butyl alcohol; at 20 ℃; for 3h;
DOI:10.1016/S0040-4020(01)00900-0

Reference yield:

: 395639-03-9
bis(1,1-dimethylethyl)(4-nitrophenyl)imidocarbonate

: 1083049-80-2
C₁₇H₁₉ClN₄O₃S

Guidance literature:: Multi-step reaction with 9 steps

1: methanol; potassium carbonate / 16 h / Heating / reflux

2: hydrogen / palladium 10% on activated carbon / ethyl acetate / 16 h

3: isopropyl alcohol / 16 h / Heating / reflux

4: dmap / tetrahydrofuran / 16 h / Heating / reflux

5: hydrazine / ethanol / 3 h

6: dmap; diisopropyl-carbodiimide / chloroform / 0 - 20 °C

7: hydrogenchloride / 1,4-dioxane; dichloromethane / 1 h / 20 °C

8: sodium cyanoborohydride / methanol; N,N-dimethyl-formamide / 16 h / 20 °C

9: hydrogenchloride / 1,4-dioxane; dichloromethane / 5 h / 20 °C

With hydrogenchloride; methanol; dmap; hydrogen; sodium cyanoborohydride; potassium carbonate; hydrazine; diisopropyl-carbodiimide; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide; isopropyl alcohol;