4-Dimethylamino-2-hydroxy-2'-methoxycarbonyl-5'-nitrobenzophenone

Base Information

• Chemical Name: 4-Dimethylamino-2-hydroxy-2'-methoxycarbonyl-5'-nitrobenzophenone
• CAS No.: 159435-02-6
• Molecular Formula: C₁₇H₁₆N₂O₆
• Molecular Weight: 344.324
• DSSTox Substance ID: DTXSID00405091
• Wikidata: Q82209475
• Mol file: 159435-02-6.mol

Synonyms:159435-02-6;4-DIMETHYLAMINO-2-HYDROXY-2'-METHOXYCARBONYL-5'-NITROBENZOPHENONE;methyl 2-[4-(dimethylamino)-2-hydroxybenzoyl]-4-nitrobenzoate;Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-4-nitro-, methyl ester;DTXSID00405091;AKOS030240371;4-Dimethylamino-2-hydroxy-2 inverted exclamation mark -methoxycarbonyl-5 inverted exclamation mark -nitrobenzophenone;FT-0667277

Chemical Property of 4-Dimethylamino-2-hydroxy-2'-methoxycarbonyl-5'-nitrobenzophenone

Chemical Property:

• Melting Point: 175-177°C
• PSA: 112.66000
• LogP: 2.90720
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 344.10083623
• Heavy Atom Count: 25
• Complexity: 518

Purity/Quality:

98%Min ^*data from raw suppliers

4-Dimethylamino-2-hydroxy-2’-methoxycarbonyl-5’-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC(=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC)O
• Uses: Synthetic Intermediat 4-Dimethylamino-2-hydroxy-2-methoxycarbonyl-5-nitrobenzophenone is an intermediate used for the preparation of rhodamine derivatives as fluorescent labels.

Technology Process of 4-Dimethylamino-2-hydroxy-2'-methoxycarbonyl-5'-nitrobenzophenone

There total 2 articles about 4-Dimethylamino-2-hydroxy-2'-methoxycarbonyl-5'-nitrobenzophenone 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: 3.0%

methanol (67-56-1) + 4-nitrophthalic anhydride (5466-84-2) + 3-Dimethylaminophenol (99-07-0) → methyl 2-(4'-dimethylamino-2'-hydroxybenzoyl)-4-nitrobenzoate (159435-02-6) + methyl 2-(4'-dimethylamino-2'-hydroxybenzoyl)-5-nitrobenzoate (159435-03-7)

Guidance literature:

With sulfuric acid; Yield given. Multistep reaction; 1) toluene, reflux, 6 h; 2) reflux, 8 h;

Reference yield:

4-nitrophthalic acid (610-27-5) → methyl 2-(4'-dimethylamino-2'-hydroxybenzoyl)-4-nitrobenzoate (159435-02-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / acetic anhydride / 1) 60 deg C, 1 h; 2) reflux, 10 min

2: 3 percent / 2.) conc. H₂SO₄ / 1) toluene, reflux, 6 h; 2) reflux, 8 h

With sulfuric acid; acetic anhydride;

Reference yield:

methyl 2-(4'-dimethylamino-2'-hydroxybenzoyl)-4-nitrobenzoate (159435-02-6) → 4-Amino-2-(4-dimethylamino-2-hydroxy-benzoyl)-benzoic acid methyl ester (1026132-88-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 5h; Ambient temperature;

upstream raw materials:

methanol

4-nitrophthalic anhydride

3-Dimethylaminophenol

4-nitrophthalic acid

Downstream raw materials:

4-Amino-2-(4-dimethylamino-2-hydroxy-benzoyl)-benzoic acid methyl ester

4-acetamido-2-(4'-dimethylamino-2'-hydroxybenzoyl)benzoic acid

6-chloroacetamido-3',6'-bis(dimethylamino)spiro<1,3-dihydroisobenzofuran-1,9'-xanthen>-3-one

6-iodoacetamido-3',6'-bis(dimethylamino)spiro<1,3-dihydroisobenzofuran-1,9'-xanthen>-3-one

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