Buchananine

Base Information

Chemical Name:Buchananine
CAS No.:70802-12-9
Molecular Formula:C12H15NO7
Molecular Weight:285.25
Hs Code.:
DSSTox Substance ID:DTXSID00331886
Nikkaji Number:J18.632E
Wikidata:Q27105989
Metabolomics Workbench ID:69381
Mol file:70802-12-9.mol

Synonyms:Buchananine;70802-12-9;C10134;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl pyridine-3-carboxylate;((2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yl)methyl nicotinate;AC1L9D42;starbld0026921;CHEBI:3202;DTXSID00331886;Q27105989

Suppliers and Price of Buchananine

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 3 raw suppliers

Chemical Property of Buchananine

Chemical Property:

Vapor Pressure:1.34E-10mmHg at 25°C
Boiling Point:494.6°Cat760mmHg
Flash Point:252.9°C
PSA：129.34000
Density:1.567g/cm³
LogP:-1.96170
XLogP3:-2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:285.08485182
Heavy Atom Count:20
Complexity:340

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CN=C1)C(=O)OCC2C(C(C(C(O2)O)O)O)O
Isomeric SMILES:C1=CC(=CN=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O

Technology Process of Buchananine

There total 3 articles about Buchananine 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: 53.0%

: 75197-55-6
1,2-O-Isopropylidene-6-O-nicotinoyl-D-glucofuranose

: 70802-12-9,75197-56-7
6-O-Nicotinoyl-D-glucopyranose

Guidance literature:: With hydrogenchloride; for 4h; Ambient temperature;
DOI:10.1021/jo01312a042

Reference yield:

: 20260-53-1
pyridine-3-carbonyl chloride hydrochloride

: 70802-12-9,75197-56-7
6-O-Nicotinoyl-D-glucopyranose

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / pyridine / Ambient temperature

2: 53 percent / 5N HCl / 4 h / Ambient temperature

With hydrogenchloride; In pyridine;
DOI:10.1021/jo01312a042

Reference yield:

: 18549-40-1
1,2-O-isopropylidene-α-D-glucofuranose

: 70802-12-9,75197-56-7
6-O-Nicotinoyl-D-glucopyranose

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / pyridine / Ambient temperature

2: 53 percent / 5N HCl / 4 h / Ambient temperature

With hydrogenchloride; In pyridine;
DOI:10.1021/jo01312a042