Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate

Base Information

• Chemical Name: Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate
• CAS No.: 22316-45-6
• Molecular Formula: C17H15 Cl N2 O5
• Molecular Weight: 362.769
• Hs Code.: 2924299090
• European Community (EC) Number: 244-907-1
• UNII: FPS7SZ92TY
• DSSTox Substance ID: DTXSID80176858
• Nikkaji Number: J285.482A
• Wikidata: Q83047184
• Mol file: 22316-45-6.mol

Synonyms:22316-45-6;Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate;5'-Chloro-2'-nitro-N-phenyl-malonanilic Acid Ethyl Ester;ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate;FPS7SZ92TY;ETHYL 3-[(5-CHLORO-2-NITROPHENYL)PHENYLAMINO]-3-OXOPROPIONATE;EINECS 244-907-1;5'-Chloro-2'-nitro-N-phenylmalonanilic acid ethyl ester;Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate;C17H15ClN2O5;Propanoic acid, 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxo-, ethyl ester;UNII-FPS7SZ92TY;SCHEMBL11554466;DTXSID80176858;C17-H15-Cl-N2-O5;Ethyl3-[phenylamino]-3-oxopropionate;AKOS030254676;FT-0664842;FT-0664843;MALONANILIC ACID, 5'-CHLORO-2'-NITRO-N-PHENYL-, ETHYL ESTER;3-[(5-Chloro-2-nitrophenyl)phenylamino]-3-oxopropanoic acid ethyl ester;N-Carbaethoxyacetyl-2-nitro-5-chlor-diphenylamin

Chemical Property of Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate

Chemical Property:

• Vapor Pressure: 1.56E-13mmHg at 25°C
• Boiling Point: 581.9°Cat760mmHg
• Flash Point: 305.7°C
• PSA: 92.43000
• Density: 1.371g/cm³
• LogP: 4.38930
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 362.0669493
• Heavy Atom Count: 25
• Complexity: 490

Purity/Quality:

99.9% ^*data from raw suppliers

5''-Chloro-2''-nitro-N-phenyl-malonanilicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)N(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
• Uses: ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate is a reagent used in the preparation of substituted Benzodiazepines.

Technology Process of Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate

There total 5 articles about Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate 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: 91.0%

5-chloro-2-nitro-N-phenylaniline (25781-92-4) + ethyl chlorocarbonylacetate (36239-09-5) → ethyl 2-(N-(5-chloro-2-nitrophenyl)-N-phenylamino)formylacetate (22316-45-6)

Guidance literature:

In acetonitrile; for 12h; Reflux; Large scale;

Reference yield: 80.0%

hydrogen ethyl malonate (1071-46-1) + 5-chloro-2-nitro-N-phenylaniline (25781-92-4) → ethyl 2-(N-(5-chloro-2-nitrophenyl)-N-phenylamino)formylacetate (22316-45-6)

Guidance literature:

With phosphorus pentachloride; at 20 ℃; Reagent/catalyst; Reflux;

Reference yield:

3,4-dinitro-chlorobenzene (610-40-2) → ethyl 2-(N-(5-chloro-2-nitrophenyl)-N-phenylamino)formylacetate (22316-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 10 h / 20 °C

2: phosphorus pentachloride / 20 °C / Reflux

With phosphorus pentachloride; In ethanol;

upstream raw materials:

5-chloro-2-nitro-N-phenylaniline

ethyl chlorocarbonylacetate

hydrogen ethyl malonate

3,4-dinitro-chlorobenzene

Downstream raw materials:

N-carbethoxy acetyl N-phenyl 5-chloro o-phenylene diamine

N-desmethylclobazam

clobazam-d3

Refernces

• 1、 -. "A 1,5-benzodiazepine derivatives zhuo Tong method for the preparation of (by machine translation)". Paragraph 0029; 0030; 0031; 0032. . Retrieved 2016/11/02.
• 2、 -. "1,5-Benzodiazepine-2,4-diones". . . Retrieved 2008/06/13.