2-Nitrophenylurethane

Base Information

• Chemical Name: 2-Nitrophenylurethane
• CAS No.: 2621-84-3
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• Hs Code.: 2924299090
• NSC Number: 63361
• DSSTox Substance ID: DTXSID40949085
• Nikkaji Number: J31.236C
• Wikidata: Q82926924
• Mol file: 2621-84-3.mol

Synonyms:2-Nitrophenylurethane;ethyl N-(2-nitrophenyl)carbamate;2621-84-3;Carbanilic acid, o-nitro-, ethyl ester;Carbamic acid, (2-nitrophenyl)-, ethyl ester;ethyl (2-nitrophenyl)carbamate;N-(Ethoxycarbonyl)-2-nitroaniline;NSC63361;o-nitrophenyl urethane;Ethyl 2-nitrophenylcarbamate;NCIOpen2_002794;Ethyl 2-nitrophenylcarbamate #;SCHEMBL6535747;DTXSID40949085;NSC-63361;o-Nitro carbanilic acid, ethyl ester;STL489999;AKOS002964291;Ethyl hydrogen (2-nitrophenyl)carbonimidate;SR-01000030914;SR-01000030914-1;Z56811506

Chemical Property of 2-Nitrophenylurethane

Chemical Property:

• Vapor Pressure: 0.00309mmHg at 25°C
• Boiling Point: 283.8°Cat760mmHg
• Flash Point: 125.4°C
• PSA: 84.15000
• Density: 1.336g/cm³
• LogP: 2.75940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 2-Nitrophenylurethane

There total 8 articles about 2-Nitrophenylurethane 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: 76.0%

N-carboethoxyaniline (101-99-5) → ethyl N-(2,4-dinitrophenylcarbamate) (35411-68-8) + ethyl 4-nitrophenylcarbamate (2621-73-0) + N-(ethoxycarbonyl)-2-nitroaniline (2621-84-3)

Guidance literature:

With sodium nitrate; sulfuric acid; at 0 - 5 ℃; for 3h;

Reference yield: 66.0%

N-carboethoxyaniline (101-99-5) → N-(ethoxycarbonyl)-2-nitroaniline (2621-84-3)

Guidance literature:

With tert.-butylnitrite; copper dichloride; In 1,4-dioxane; at 90 ℃;

Reference yield: 11.0%

ethyl azidocarbonate (817-87-8) + nitrobenzene (98-95-3,26969-40-4) → ethyl N-(m-nitrophenyl)carbamate (6275-72-5) + N-(ethoxycarbonyl)-2-nitroaniline (2621-84-3)

Guidance literature:

With trifluoroacetic acid; at 125 ℃; for 1h;

upstream raw materials:

2-nitro-benzoic acid bromoamide

sodium ethanolate

N-carboethoxyaniline

ethanol

Downstream raw materials:

2-[(Ethoxycarbonyl)amino]aniline

ethyl N-(2,4-dinitrophenylcarbamate)

1,3-dihydro-2H-benzimidazol-2-one

ethyl N-(2,4,6-trinitrophenyl)carbamate