N-(Acetoacetyl)anthranilic acid

Base Information

• Chemical Name: N-(Acetoacetyl)anthranilic acid
• CAS No.: 35354-86-0
• Molecular Formula: C11H11NO4
• Molecular Weight: 221.21
• Hs Code.: 29269095
• European Community (EC) Number: 609-120-3
• DSSTox Substance ID: DTXSID10398905
• Nikkaji Number: J60.369D
• Wikidata: Q72434219
• Mol file: 35354-86-0.mol

Synonyms:35354-86-0;N-(Acetoacetyl)anthranilic acid;2-(3-Oxobutanamido)benzoic acid;2-(3-oxobutanoylamino)benzoic Acid;ACETOACET-2-CARBOXYANILIDE;Acetoacet-O-carboxyanilide;N-Acetoacetylanthranilic Acid;2'-Carboxyacetoacetanilide;N-(Acetoacetyl)anthranilicacid;SCHEMBL252897;2-(Acetoacetamido)benzoic Acid;2-(3-Oxobutanamido)benzoicacid;DTXSID10398905;AKOS010501655;SB79860;CS-0186402;FT-0654245;D88499;A822749

Chemical Property of N-(Acetoacetyl)anthranilic acid

Chemical Property:

• Vapor Pressure: 5.69E-10mmHg at 25°C
• Melting Point: 86.6 °C
• Refractive Index: 1.603
• Boiling Point: 478.668 °C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 243.29 °C
• PSA: 83.47000
• Density: 1.339 g/cm³
• LogP: 1.37540
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 221.06880783
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

N-(ACETOACETYL)ANTHRANILIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,Xi
• Hazard Codes: Xn,T,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC1=CC=CC=C1C(=O)O

Technology Process of N-(Acetoacetyl)anthranilic acid

There total 1 articles about N-(Acetoacetyl)anthranilic 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:

ethyl acetoacetate (141-97-9) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-acetoacetylamino benzoic acid (35354-86-0)

Guidance literature:

Reference yield: 65.0%

2-acetoacetylamino benzoic acid (35354-86-0) → 2-(2-fluoro-3-oxobutanamido)benzoic acid

Guidance literature:

With Selectfluor; In water; acetonitrile; at 20 ℃; for 4h; chemoselective reaction; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.9b01808

Reference yield:

4-(3-oxobutanamido)benzamide (56766-13-3) + 2-acetoacetylamino benzoic acid (35354-86-0) + 3,3'-dichloro-biphenyl-4,4'-bisdiazonium; chloride (49744-39-0) + N-phenylacetoacetamide (102-01-2,98624-45-4) → C.I. pigment yellow 12 (97794-07-5)

Guidance literature:

With sodium hydroxide; acetic acid; In water; at 5 - 20 ℃; for 1.5h; pH=4.7; Product distribution / selectivity; Industry scale;

upstream raw materials:

ethyl acetoacetate

anthranilic acid

Downstream raw materials:

C_.I_. pigment yellow 12