7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)-

Base Information Edit

Chemical Name:7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)-
CAS No.:106939-31-5
Molecular Formula:C₂₂H₁₅F₂N₃O₁₀
Molecular Weight:519.372
Hs Code.:
DSSTox Substance ID:DTXSID501100894
Mol file:106939-31-5.mol

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)-

Synonyms:DTXSID501100894;106939-31-5;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)-

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Chemical Property of 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)- Edit

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:519.07255001
Heavy Atom Count:37
Complexity:976

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN2C(COC3=C2C(=CC(=C3F)F)C1=O)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES:CCOC(=O)C1=CN2[C@@H](COC3=C2C(=CC(=C3F)F)C1=O)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)-

There total 3 articles about 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 3-[[(3,5-dinitrobenzoyl)oxy]methyl]-9,10-difluoro-2,3-dihydro-7-oxo-, ethyl ester, (S)- 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:

: 91040-39-0
(+/-)-9,10-difluoro-3-hydroxymethyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid ethyl ester

: 106939-31-5
(S)-3-(3,5-Dinitro-benzoyloxymethyl)-8,9-difluoro-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / pyridine / tetrahydrofuran / 1.5 h / Heating

With pyridine; In tetrahydrofuran;
DOI:10.1248/cpb.35.1896

Reference yield:

: 99-33-2
3,5-dinitrobenoyl chloride

: 106939-31-5
(S)-3-(3,5-Dinitro-benzoyloxymethyl)-8,9-difluoro-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / pyridine / tetrahydrofuran / 1.5 h / Heating

With pyridine; In tetrahydrofuran;
DOI:10.1248/cpb.35.1896