2-Acetamido-4-nitrobenzoic acid

Base Information

• Chemical Name: 2-Acetamido-4-nitrobenzoic acid
• CAS No.: 951-97-3
• Molecular Formula: C9H8 N2 O5
• Molecular Weight: 224.173
• Hs Code.: 2924299090
• European Community (EC) Number: 213-458-3
• NSC Number: 86569,49165,25215
• DSSTox Substance ID: DTXSID3061346
• Nikkaji Number: J298.558F
• Wikidata: Q81989422
• Mol file: 951-97-3.mol

Synonyms:2-Acetamido-4-nitrobenzoic acid;951-97-3;2-(Acetylamino)-4-nitrobenzoic acid;Benzoic acid, 2-(acetylamino)-4-nitro-;2-Acetylamino-4-nitro-benzoic acid;NSC 49165;Anthranilic acid, N-acetyl-4-nitro-;2-acetylamino-4-nitrobenzoic acid;EINECS 213-458-3;NSC 25215;NSC 86569;4-nitro-N-acetyl-anthranilic acid;2-ACETAMINO-4-NITROBENZOIC ACID;Oprea1_794740;SCHEMBL5156571;DTXSID3061346;NSC25215;NSC49165;NSC86569;MFCD00024724;NSC-25215;NSC-49165;NSC-86569;STK365757;AKOS001030241;2-(N-acetyl)amino-4-nitrobenzoic acid;LS-08721;FT-0633183;EN300-1013352;SR-01000025474;SR-01000025474-1;Z56759402;F0001-2286

Chemical Property of 2-Acetamido-4-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 2.3E-10mmHg at 25°C
• Melting Point: 214-215 °C
• Boiling Point: 488.7°Cat760mmHg
• PKA: 2.71±0.10(Predicted)
• Flash Point: 249.4°C
• PSA: 112.22000
• Density: 1.526g/cm³
• LogP: 1.84760
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.04332136
• Heavy Atom Count: 16
• Complexity: 312

Purity/Quality:

99%, ^*data from raw suppliers

2-Acetylamino-4-nitro-benzoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Acetamido-4-nitrobenzoic acid

There total 9 articles about 2-Acetamido-4-nitrobenzoic acid 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: 92.1%

acetic anhydride (108-24-7) + 4-Nitroanthranilic acid (619-17-0) → 2-acetamido-4-nitrobenzoic acid (951-97-3)

Guidance literature:

In pyridine; Ambient temperature;

Reference yield:

N-(2-methyl-5-nitrophenyl)acetamide (2879-79-0) → 2-acetamido-4-nitrobenzoic acid (951-97-3)

Guidance literature:

With potassium permanganate;

Reference yield:

1N-sodium hydroxide + 4-Nitroanthranilic acid (619-17-0) → 2-acetamido-4-nitrobenzoic acid (951-97-3)

Guidance literature:

In tetrahydrofuran; acetic anhydride;

upstream raw materials:

N-(2-methyl-5-nitrophenyl)acetamide

acetic anhydride

4-Nitroanthranilic acid

acetyl chloride

Downstream raw materials:

C₁₅H₁₁N₃O₃S

3-benzyl-7-nitro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

C₁₁H₁₁N₃O₂S

O₂NC₆H₃CON(CH₂C₆H₅)CSN(CH₃)

Refernces

• 1、 -. "4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE INHIBITION OF SERINE PROTEASES". . . Retrieved 2008/06/13.
• 2、 Preuss,Hassler,Koepf. "On the biotransformation of 2-methyl-3-o-tolyl-4(3H)-quinazolinone (Methaqualone). 2. On the structure and synthesis of some renal excretory products". . p. 401 - 407. Retrieved 2007/10/05.