(4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID ETHYL ESTER

Base Information

• Chemical Name: (4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID ETHYL ESTER
• CAS No.: 25947-13-1
• Molecular Formula: C12H12N2O3
• Molecular Weight: 232.239
• Hs Code.: 2933990090
• Mol file: 25947-13-1.mol

Synonyms:3,4-Dihydro-4-oxo-1-phthalazineaceticacid ethyl ester;Ethyl 3,4-dihydro-4-oxo-1-phthalazineacetate;Ethyl4-oxo-3H-phthalazin-1-ylacetate;NSC 408028;

Chemical Property of (4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 1.45E-09mmHg at 25°C
• Melting Point: 177-179 °C
• Refractive Index: 1.608
• Boiling Point: 472.9 °C at 760 mmHg
• PKA: 11.87±0.40(Predicted)
• Flash Point: 239.8 °C
• PSA: 72.05000
• Density: 1.3 g/cm³
• LogP: 1.02870

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

ETHYL 3,4-DIHYDRO-4-OXO-1-PHTHALAZINEACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of (4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID ETHYL ESTER

There total 2 articles about (4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID ETHYL ESTER 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: 30.0%

ethyl 1,3-dihydro-1-hydroxy-3-oxo-1-isobenzofuranacetate (122665-82-1) → 2-(4,5-dihydro-5-oxo-1H-pyrazol-3-yl)benzoic acid (132960-24-8) + ethyl 1,2-dihydro-1-oxophthalazin-4-ylacetate (25947-13-1)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

DOI:10.1021/jo00007a061

Reference yield:

phthalic anhydride (85-44-9) → ethyl 1,2-dihydro-1-oxophthalazin-4-ylacetate (25947-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / zinc-copper couple / tetrahydrofuran; dimethylformamide / 3 h / Heating

2: hydrazine hydrate / ethanol / Heating

With zinc copper; hydrazine hydrate; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jo00007a061

Reference yield: 73.0%

2-(chloromethyl)-4-(p-tolyl)thiazole (921102-01-4) + ethyl 1,2-dihydro-1-oxophthalazin-4-ylacetate (25947-13-1) → SP 00492 (883050-64-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

upstream raw materials:

ethyl 1,3-dihydro-1-hydroxy-3-oxo-1-isobenzofuranacetate

phthalic anhydride

Downstream raw materials:

ethyl 3,4-dihydro-4-oxo-3-(3-cyanomethyl)-1-phthalazineacetate

[4-Oxo-3-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-3,4-dihydro-phthalazin-1-yl]-acetic acid

[4-Oxo-3-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-3,4-dihydro-phthalazin-1-yl]-acetic acid ethyl ester

{3-[(4-Chloro-phenylcarbamoyl)-methyl]-4-oxo-3,4-dihydro-phthalazin-1-yl}-acetic acid ethyl ester

Refernces

• 1、 Whitehouse, Andrew J.,Libardo, M. Daben J.,Kasbekar, Monica,Brear, Paul D.,Fischer, Gerhard,Thomas, Craig J.,Barry, Clifton E.,Boshoff, Helena I. M.,Coyne, Anthony G.,Abell, Chris. "Targeting of Fumarate Hydratase from Mycobacterium tuberculosis Using Allosteric Inhibitors with a Dimeric-Binding Mode". . p. 10586 - 10604. Retrieved 2019/10/16.
• 2、 -. "METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1". . . Retrieved 2014/07/07.