N,N-Diboc-2-chloro-4-nitroaniline

Base Information

• Chemical Name: N,N-Diboc-2-chloro-4-nitroaniline
• CAS No.: 252019-65-1
• Molecular Formula: C16H21 Cl N2 O6
• Molecular Weight: 372.806
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID70593272
• Wikidata: Q82487714
• Mol file: 252019-65-1.mol

Synonyms:252019-65-1;N,N-DIBOC-2-CHLORO-4-NITROANILINE;N,N-DI-BOC-2-CHLORO-4-NITROANILINE;tert-butyl N-(2-chloro-4-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;Imidodicarbonic acid, 2-(2-chloro-4-nitrophenyl)-, 1,3-bis(1,1-dimethylethyl) ester;SCHEMBL6355957;DTXSID70593272;IDGPZGXYFQWSTJ-UHFFFAOYSA-N;AB3615;MFCD08275039;AB44601;DB-046644;di-tert-butyl 2-chloro-4-nitrophenyliminodicarbonate;n,n-di-(t-butyloxycarbonyl)-2-chloro4-nitroaniline;N,N-di-(t-Butyloxycarbonyl)-2-chloro-4-nitroaniline;Di-tert-butyl (2-chloro-4-nitrophenyl)-2-imidodicarbonate;TERT-BUTYL N-(TERT-BUTOXYCARBONYL)-N-(2-CHLORO-4-NITROPHENYL)CARBAMATE

Chemical Property of N,N-Diboc-2-chloro-4-nitroaniline

Chemical Property:

• Vapor Pressure: 5.15E-08mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 442.1°C at 760 mmHg
• PKA: -6.04±0.50(Predicted)
• Flash Point: 221.2°C
• PSA: 101.66000
• Density: 1.284g/cm³
• LogP: 5.44800
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 372.1088141
• Heavy Atom Count: 25
• Complexity: 492

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Di-boc-2-chloro-4-nitroaniline 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)N(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C(=O)OC(C)(C)C

Technology Process of N,N-Diboc-2-chloro-4-nitroaniline

There total 3 articles about N,N-Diboc-2-chloro-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%

di-tert-butyl dicarbonate (24424-99-5) + 2-Chloro-4-nitroaniline (121-87-9) → tert-butyl N-[(tert-butoxy)carbonyl]-N-(2-chloro-4-nitrophenyl)carbamate (252019-65-1)

Guidance literature:

With dmap; In tetrahydrofuran; at 25 ℃; for 3h;

DOI:10.1021/jm040159c

Reference yield: 97.0%

→ tert-butyl N-[(tert-butoxy)carbonyl]-N-(2-chloro-4-nitrophenyl)carbamate (252019-65-1)

Guidance literature:

With dmap; In dichloromethane; at 20 - 24 ℃; for 48h;

Reference yield:

dmap (1122-58-3) + di-tert-butyl dicarbonate (24424-99-5) + 2-Chloro-4-nitroaniline (121-87-9) → tert-butyl N-[(tert-butoxy)carbonyl]-N-(2-chloro-4-nitrophenyl)carbamate (252019-65-1)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

di-tert-butyl dicarbonate

2-Chloro-4-nitroaniline

dmap

Downstream raw materials:

N-(3-chloro-4-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl)picolinamide

N-(3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl)picolinamide

N-(3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl)picolinamide

N-(3-chloro-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)phenyl)picolinamide