YM-543 free acid

Base Information

Chemical Name:YM-543 free acid
CAS No.:655237-16-4
Molecular Formula:C₂₃H₂₄O₆
Molecular Weight:396.44
Hs Code.:
UNII:00X1DX441H
ChEMBL ID:CHEMBL2397450
Pharos Ligand ID:HAGDTLH2VB56
Wikidata:Q27896196

Synonyms:YM-543 free acid;YM543 (free base);655237-16-4;CHEMBL2397450;00X1DX441H;D-Glucitol, 1,5-anhydro-1-C-(5-(2-azulenylmethyl)-2-hydroxyphenyl)-, (1S)-;(2S,3R,4R,5S,6R)-2-(5-(Azulen-2-ylmethyl)-2-hydroxyphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;starbld0043423;SCHEMBL980608;UNII-00X1DX441H;AGJJCLBOHJQGFA-ZQGJOIPISA-N;BDBM50436115;HY-122613;CS-0087511;Q27896196;(1S)-1,5-anhydro-1-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-D-glucitol

Suppliers and Price of YM-543 free acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of YM-543 free acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:396.15728848
Heavy Atom Count:29
Complexity:516

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES:C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Technology Process of YM-543 free acid

There total 13 articles about YM-543 free acid 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: 69.0%

: 2,3,4,6-tetra-O-acetyl-1-C-[2-(acetyloxy)-5-(azulen-2-ylmethyl)phenyl]-1-O-methyl-D-glucopyranoside

: 655237-16-4
(1S)-1,5-anhydro-1-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-D-glucitol

Guidance literature:: 2,3,4,6-tetra-O-acetyl-1-C-[2-(acetyloxy)-5-(azulen-2-ylmethyl)phenyl]-1-O-methyl-D-glucopyranoside; With triethylsilane; trimethylsilyl trifluoromethanesulfonate; water; In acetonitrile; at -5 ℃; for 15h;

With sodium methylate; In methanol; at 0 ℃; for 2h; Product distribution / selectivity;

Reference yield: 69.0%

: 2,3,4,6-tetra-O-acetyl-1-C-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-1-O-methyl-D-glucopyranoside

: 655237-16-4
(1S)-1,5-anhydro-1-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-D-glucitol

Guidance literature:: 2,3,4,6-tetra-O-acetyl-1-C-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-1-O-methyl-D-glucopyranoside; With triethylsilane; trimethylsilyl trifluoromethanesulfonate; water; In acetonitrile; at -5 ℃; for 16h;

With sodium methylate; In methanol; at 0 ℃; for 2h; Product distribution / selectivity;

Reference yield: 53.0%

: 1443119-75-2
(1S)-1,5-anhydro-2,3,4,6-tetra-O-acetyl-1-(2-acetoxy-5-{[1-(methoxycarbonyl)azulen-2-yl]methyl}phenyl)-D-glucitol

: 655237-16-4
(1S)-1,5-anhydro-1-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-D-glucitol

Guidance literature:: (1S)-1,5-anhydro-2,3,4,6-tetra-O-acetyl-1-(2-acetoxy-5-{[1-(methoxycarbonyl)azulen-2-yl]methyl}phenyl)-D-glucitol; With sodium hydroxide; In methanol; water; at 110 ℃; for 3h;

With hydrogenchloride; In ethyl acetate; acetonitrile; at 93 ℃; for 2.66667h;
DOI:10.1016/j.bmc.2013.03.067