2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate

Base Information

Chemical Name:2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate
CAS No.:5983-05-1
Molecular Formula:C16H16 N2 O6
Molecular Weight:484.9336
Hs Code.:
DSSTox Substance ID:DTXSID90413463

Synonyms:5983-05-1;AC1NQR1C;DTXSID90413463

Suppliers and Price of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:9.39±0.10(Predicted)
Flash Point:°C
PSA：78.44000
Density:g/cm³
LogP:4.35950
XLogP3:6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:484.1302182
Heavy Atom Count:35
Complexity:844

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=NN(C(=C1C2=C(C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC(=C4)C)[O-])C5=CC(=CC=C5)Cl

Technology Process of 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate

There total 4 articles about 2-(3-Chlorophenyl)-5-ethyl-4-[4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]pyrazol-3-olate 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: 63.0%

: 38359-55-6
5'-O-benzoyl-3'-deoxy-2'-keto-β-uridine

: 5983-05-1
1-(5-O-benzoyl-3-deoxy-β-D-ara-furanosyl)uracil

Guidance literature:: With sodium tetrahydroborate; In ethanol; for 1.5h; Ambient temperature;
DOI:10.1016/0040-4020(95)01011-4

Reference yield:

: 38431-65-1
1-(5-O-benzoyl-2,3-O-dimesyl-β-D-lyxo-furanosyl) uracil

: 5983-05-1
1-(5-O-benzoyl-3-deoxy-β-D-ara-furanosyl)uracil

Guidance literature:: Multi-step reaction with 2 steps

1: sodium benzoate / dimethylformamide / 2 h / 110 °C

2: 63 percent / NaBH₄ / ethanol / 1.5 h / Ambient temperature

With sodium benzoate; sodium tetrahydroborate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/0040-4020(95)01011-4

Reference yield:

: 38359-53-4
1-(5-O-benzoyl-3-O-mesyl-2-tosyl-β-D-lyxo-furanosyl)uracil

: 5983-05-1
1-(5-O-benzoyl-3-deoxy-β-D-ara-furanosyl)uracil

Guidance literature:: Multi-step reaction with 2 steps

1: sodium benzoate / dimethylformamide / 3 h / 120 °C

2: 63 percent / NaBH₄ / ethanol / 1.5 h / Ambient temperature

With sodium benzoate; sodium tetrahydroborate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/0040-4020(95)01011-4