Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-(trifluoromethyl)phenyl)-, hemihydrate

Base Information

Chemical Name:Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-(trifluoromethyl)phenyl)-, hemihydrate
CAS No.:83366-26-1
Molecular Formula:C₂₂H₂₂F₃NO₇
Molecular Weight:469.414
Hs Code.:
DSSTox Substance ID:DTXSID40232303
Nikkaji Number:J571.351J
Wikidata:Q76156829

Synonyms:83366-26-1;Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-(trifluoromethyl)phenyl)-, hemihydrate;DTXSID40232303;C22H22F3NO7.1/2H2O;LS-91077;C22-H22-F3-N-O7.1/2H2-O;4-[4-(Trifluoromethyl)benzoyl]phenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

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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-(trifluoromethyl)phenyl)-, hemihydrate

Chemical Property:

Vapor Pressure:3.44E-21mmHg at 25°C
Boiling Point:710.6°Cat760mmHg
Flash Point:383.5°C
Density:1.47g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:469.13483653
Heavy Atom Count:33
Complexity:675

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)C(F)(F)F)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)C(F)(F)F)CO)O)O

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

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

: Acetic acid (2R,3S,4R,5R,6S)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-[4-(4-trifluoromethyl-benzoyl)-phenoxy]-tetrahydro-pyran-4-yl ester

: 83366-26-1
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-trifluoromethyl-benzoyl)-phenoxy]-tetrahydro-pyran-3-yl}-acetamide

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

Reference yield:

: 21084-27-5
(4-hydroxy-phenyl)[4-(trifluoromethyl)phenyl] methanone

: 83366-26-1
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-trifluoromethyl-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

: 83366-26-1
N-{(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-[4-(4-trifluoromethyl-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