Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate

Base Information

Chemical Name:Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate
CAS No.:83357-15-7
Molecular Formula:C₂₁H₂₂N₂O₉
Molecular Weight:446.414
Hs Code.:
DSSTox Substance ID:DTXSID30232296
Nikkaji Number:J571.349H

Synonyms:Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate;83357-15-7;SCHEMBL11029615;C21H22N2O9.H2O;DTXSID30232296;C21-H22-N2-O9.H2-O;LS-91076;4-[4-Nitrobenzoyl]phenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

Suppliers and Price of Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate

Supply Marketing:

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

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Chemical Property of Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate

Chemical Property:

Vapor Pressure:3.75E-26mmHg at 25°C
Boiling Point:787.8°C at 760 mmHg
Flash Point:430.3°C
Density:1.49g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:446.13253028
Heavy Atom Count:32
Complexity:669

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)O)O
Isomeric SMILES:CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)O)O

Technology Process of Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate

There total 3 articles about Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-, hydrate 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:

: 4-(4'-nitrobenzoyl)phenyl-2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside

: 83357-15-7
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-nitro-benzoyl)-phenoxy]-tetrahydro-pyran-3-yl}-acetamide

Guidance literature:: With sodium methylate; In methanol; for 2h; Ambient temperature;
DOI:10.1021/jm00059a015

Reference yield:

: 18920-70-2
4-hydroxy-4'-nitrobenzophenone

: 83357-15-7
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-nitro-benzoyl)-phenoxy]-tetrahydro-pyran-3-yl}-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, CH₂Cl₂, RT, 2 h, 2.) DMF, CH₂Cl₂, 40 deg C, 3 h

2: MeONa / methanol / 2 h / Ambient temperature

With sodium methylate; sodium hydride; In methanol;
DOI:10.1021/jm00059a015

Reference yield:

: 3068-34-6
Acetic acid (2R,3S,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-chloro-tetrahydro-pyran-4-yl ester

: 83357-15-7
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-nitro-benzoyl)-phenoxy]-tetrahydro-pyran-3-yl}-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, CH₂Cl₂, RT, 2 h, 2.) DMF, CH₂Cl₂, 40 deg C, 3 h

2: MeONa / methanol / 2 h / Ambient temperature

With sodium methylate; sodium hydride; In methanol;
DOI:10.1021/jm00059a015