Neoastilbin

Base Information

Chemical Name:Neoastilbin
CAS No.:54081-47-9
Molecular Formula:C21H22O11
Molecular Weight:450.399
Hs Code.:
DSSTox Substance ID:DTXSID20331828
Nikkaji Number:J665.433I
Wikidata:Q27103250
Metabolomics Workbench ID:51410
ChEMBL ID:CHEMBL1314522
Mol file:54081-47-9.mol

Synonyms:neoastilbin

Suppliers and Price of Neoastilbin

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

Biosynth Carbosynth
Neoastilbin
2 mg
$ 200.00

Biosynth Carbosynth
Neoastilbin
1 mg
$ 125.00

Biosynth Carbosynth
Neoastilbin
5 mg
$ 400.00

Biosynth Carbosynth
Neoastilbin
25 mg
$ 1000.00

Biosynth Carbosynth
Neoastilbin
10 mg
$ 700.00

Biorbyt Ltd
Neoastilbin
10 mg
$ 666.40

Biorbyt Ltd
Neoastilbin
5 mg
$ 499.80

Arctom
Neoastilbin ≥98%
20mg
$ 318.00

AK Scientific
Neoastilbin
10mg
$ 995.00

AK Scientific
Neoastilbin
2mg
$ 320.00

Total 19 raw suppliers

Chemical Property of Neoastilbin

Chemical Property:

Melting Point:176-177 °C
Boiling Point:801.1±65.0 °C(Predicted)
PKA:7.34±0.60(Predicted)
PSA：186.37000
Density:1.74±0.1 g/cm3(Predicted)
LogP:0.03810
XLogP3:0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:3
Exact Mass:450.11621151
Heavy Atom Count:32
Complexity:676

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Neoastilbin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Isomeric SMILES:C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Technology Process of Neoastilbin

There total 10 articles about Neoastilbin 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: 91.0%

: 294203-79-5
(2R,3R)-5,7-Bis-benzyloxy-2-(3,4-bis-benzyloxy-phenyl)-3-((2S,3R,4R,5S,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-chroman-4-one

: 29838-67-3,54081-47-9,54081-48-0,54141-72-9
astilbin

Guidance literature:: With hydrogen; palladium; In methanol;
DOI:10.1016/S0040-4039(00)00826-1

Reference yield:

: 20728-73-8
5,7,3',4'-tetra-O-benzyl-(+)-catechin

: 29838-67-3,54081-47-9,54081-48-0,54141-72-9
astilbin

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / Cp₂HfCl₂; AgClO₄ / CH₂Cl₂ / 2 h / -78 - -35 °C

2: 66 percent / DDQ; H₂O / CH₂Cl₂ / 5 h / 25 °C

3: 85 percent / pyridinium dichromate / CH₂Cl₂ / 40 h / 20 °C

4: 91 percent / H₂ / Pd black / methanol / 50 h / 25 °C

With dipyridinium dichromate; bis(cyclopentadienyl)hafnium dichloride; water; hydrogen; silver perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium; In methanol; dichloromethane;
DOI:10.1016/j.tet.2003.08.076

Reference yield:

: 80152-99-4
1-O-acetyl-2,3,4-tri-O-benzyl-6-deoxy-α-L-mannose

: 29838-67-3,54081-47-9,54081-48-0,54141-72-9
astilbin

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / Cp₂HfCl₂; AgClO₄ / CH₂Cl₂ / 2 h / -78 - -35 °C

2: 66 percent / DDQ; H₂O / CH₂Cl₂ / 5 h / 25 °C

3: 85 percent / pyridinium dichromate / CH₂Cl₂ / 40 h / 20 °C

4: 91 percent / H₂ / Pd black / methanol / 50 h / 25 °C

With dipyridinium dichromate; bis(cyclopentadienyl)hafnium dichloride; water; hydrogen; silver perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium; In methanol; dichloromethane;
DOI:10.1016/j.tet.2003.08.076