Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

Base Information

Chemical Name:Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-
CAS No.:72523-59-2
Molecular Formula:C₁₄H₁₉NO₈
Molecular Weight:329.307
Hs Code.:

Synonyms:72523-59-2;Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

Suppliers and Price of Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

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

Total 0 raw suppliers

Chemical Property of Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

Chemical Property:

Vapor Pressure:2.3E-20mmHg at 25°C
Boiling Point:662.4°Cat760mmHg
Flash Point:354.4°C
PSA：163.63000
Density:1.61g/cm³
LogP:-3.08692
XLogP3:-3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:329.11106656
Heavy Atom Count:23
Complexity:526

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O
Isomeric SMILES:C1=C/C(=C/C#N)/[C@@H]([C@H]([C@H]1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Technology Process of Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-

There total 11 articles about Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)- 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: 93.0%

: 63568-00-3
(2Z)-{(4R,5S,6S)-4,5-diacetoxy-6-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclohex-2-en-1-ylidene}acetonitrile

: 63492-69-3,72523-59-2
(-)-(2Z)-{(4R,5S,6S)-6-(β-D-glucopyranosyloxy)-4,5-dihydroxycyclohex-2-en-1-ylidene}acetonitrile

Guidance literature:: With sodium methylate; In methanol; at 0 ℃; for 1h;
DOI:10.1002/hlca.200390065

Reference yield: 92.0%

: 84799-67-7
hexaacetate of (Z)-6α-(β-D-glucosyloxy)-4α,5α-dihydroxy-2-cyclohexene-Δ^1,α-acetonitrile

: 84799-31-5,72523-59-2
(Z)-6α-(β-D-glucosyloxy)-4α,5α-dihydroxy-2-cyclohexene-Δ^1,α-acetonitrile

Guidance literature:: With sodium methylate; In methanol; at 0 ℃; for 0.0833333h;
DOI:10.1002/hlca.200790015

Reference yield:

: 561023-24-3
(2E)-{(4R,5S,6S)-4,5-diacetoxy-6-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclohex-2-en-1-ylidene}acetonitrile

: 63492-69-3,72523-59-2
(-)-(2Z)-{(4R,5S,6S)-6-(β-D-glucopyranosyloxy)-4,5-dihydroxycyclohex-2-en-1-ylidene}acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 51 percent / dioxane / 0.67 h / UV-irradiation

2: 93 percent / NaOMe / methanol / 1 h / 0 °C

With sodium methylate; In 1,4-dioxane; methanol;
DOI:10.1002/hlca.200390065