2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-

Base Information

• Chemical Name: 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-
• CAS No.: 133414-47-8
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.2093
• DSSTox Substance ID: DTXSID60928110
• Mol file: 133414-47-8.mol

Synonyms:133414-47-8;BRN 4251675;2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-;4,4a-Dihydro-5H(1)benzopyrano(4,3-c)pyridazin-3(2H)-one;4a,5-Dihydro-2H(1)benzopyrano(4,3-c)pyridazin-3(4H)-one;DTXSID60928110;LS-39868;4a,5-Dihydro-4H-[1]benzopyrano[4,3-c]pyridazin-3-ol

Chemical Property of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.47g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2COC3=CC=CC=C3C2=NNC1=O

Technology Process of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-

There total 2 articles about 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro- 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: 79.0%

3,4-dihydro-4-oxo-2H-1-benzopyran-3-acetic acid (112639-38-0) → 10,10a-Dihydro-1H,3H-9-oxa-3,4-diaza-phenanthren-2-one (133414-47-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

DOI:10.1016/0223-5234(90)90194-8

Reference yield:

3-(2-hydroxybenzoyl)propionic acid (39560-34-4) → 10,10a-Dihydro-1H,3H-9-oxa-3,4-diaza-phenanthren-2-one (133414-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 42 percent / 0.5 N NaOH / 1 h / 70 °C

2: 79 percent / hydrazine hydrate / ethanol / 3 h / Heating

With sodium hydroxide; hydrazine hydrate; In ethanol;

DOI:10.1016/0223-5234(90)90194-8

upstream raw materials:

3,4-dihydro-4-oxo-2H-1-benzopyran-3-acetic acid

3-(2-hydroxybenzoyl)propionic acid