1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile

Base Information

• Chemical Name: 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile
• CAS No.: 28657-79-6
• Molecular Formula: C12H9 N3 O3
• Molecular Weight: 243.222
• European Community (EC) Number: 249-132-2
• UNII: 8AN5SN1ZNC
• DSSTox Substance ID: DTXSID60182816
• Nikkaji Number: J250.751J
• Wikidata: Q83053518
• Mol file: 28657-79-6.mol

Synonyms:28657-79-6;1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile;EINECS 249-132-2;1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile;8AN5SN1ZNC;1-ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile;1-Ethyl-4-oxo-1,4-dihydro-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile;UNII-8AN5SN1ZNC;SCHEMBL9358611;DTXSID60182816;1-ethyl-3-cyano-6,7-methylenedioxy-4-cinnolone;1-Ethyl-1,4-dihydro-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile;(1,3)DIOXOLO(4,5-G)CINNOLINE-3-CARBONITRILE, 1-ETHYL-1,4-DIHYDRO-4-OXO-

Chemical Property of 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile

Chemical Property:

• Vapor Pressure: 4.11E-08mmHg at 25°C
• Refractive Index: 1.699
• Boiling Point: 444.9°Cat760mmHg
• Flash Point: 222.9°C
• PSA: 77.14000
• Density: 1.5g/cm³
• LogP: 1.01678
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 243.06439116
• Heavy Atom Count: 18
• Complexity: 453

Purity/Quality:

98%Min ^*data from raw suppliers

1-Ethyl-3-cyano-6,7-methylenedioxy-4-cinnolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC3=C(C=C2C(=O)C(=N1)C#N)OCO3
• Uses: 1-Ethyl-3-cyano-6,7-methylenedioxy-4-cinnolone is an intermediate used in the synthesis of Cinoxacin (C475700), which is an antibacterial quinolone previously known for its use in the treatment of urinary tract infections.

Technology Process of 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile

There total 2 articles about 1-Ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carbonitrile 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: 21.0%

cinoxacin (28657-80-9) → 1-ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile (28657-79-6)

Guidance literature:

cinoxacin; With polyphosphate ester; ammonia; In chloroform; at 119 - 123 ℃; for 24h;

With polyphosphate ester; at 120 ℃; for 1h;

DOI:10.1080/00304940409355977

Reference yield:

→ 1-ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile (28657-79-6)

Guidance literature:

6,7-Methylendioxycinnolin-4-ol-3-carbonitril, NaH, C2H5I;

upstream raw materials:

cinoxacin