Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate

Base Information

Chemical Name:Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate
CAS No.:83355-63-9
Molecular Formula:C₁₉H₁₉ClO₇
Molecular Weight:394.809
Hs Code.:
DSSTox Substance ID:DTXSID70232290
Nikkaji Number:J544.447K
Wikidata:Q76156804
ChEMBL ID:CHEMBL413349
Mol file:83355-63-9.mol

Synonyms:83355-63-9;Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate;4-(4-chlorobenzoyl)phenyl beta-D-glucopyranoside;(4-Chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)methanone hemihydrate;C19-H19-Cl-O7.1/2H2-O;CHEMBL413349;DTXSID70232290;C19H19ClO7.1/2H2O;LS-91169

Suppliers and Price of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(4-CHLOROPHENYL)(4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL)METHANONE HEMIHYDR ATE 95.00%
5MG
$ 501.33

Total 3 raw suppliers

Chemical Property of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate

Chemical Property:

Vapor Pressure:2.53E-17mmHg at 25°C
Boiling Point:641.3°C at 760 mmHg
Flash Point:341.6°C
PSA：116.45000
Density:1.48g/cm³
LogP:0.74970
XLogP3:1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:394.0819306
Heavy Atom Count:27
Complexity:488

Purity/Quality:: (4-CHLOROPHENYL)(4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL)METHANONE HEMIHYDR ATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES:C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Technology Process of Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)phenyl)-, hemihydrate

There total 6 articles about Methanone, (4-chlorophenyl)(4-(beta-D-glucopyranosyloxy)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,3R,4S,5R,6S)-3,5-diacetoxy-2-acetoxymethyl-6-[4-(4-chloro-benzoyl)-phenoxy]-tetrahydro-pyran-4-yl ester

: 83355-63-9,83357-01-1
(4-Chloro-phenyl)-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-methanone

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

Reference yield:

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

: 83355-63-9,83357-01-1
(4-Chloro-phenyl)-[4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-methanone

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

Reference yield:

: 42019-78-3
4-chloro-4'-hydroxybenzophenone

: 83355-63-9,83357-01-1
(4-Chloro-phenyl)-[4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-methanone

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / Ag₂O / acetonitrile / 0.5 h / Ambient temperature

2: MeONa / methanol / 2 h / Ambient temperature

With sodium methylate; silver(l) oxide; In methanol; acetonitrile;
DOI:10.1021/jm00059a015