7-O-(4-Methylbenzoyl)castanospermine

Base Information

Chemical Name:7-O-(4-Methylbenzoyl)castanospermine
CAS No.:121104-88-9
Molecular Formula:C₁₆H₂₁NO₅
Molecular Weight:307.346
Hs Code.:
DSSTox Substance ID:DTXSID10153152
Wikidata:Q83020007

Synonyms:MDL 29270;7-O-(4-Methylbenzoyl)castanospermine;MDL 29,270;Castanospermine, 7-O-(4-methylbenzoyl)-;121104-88-9;Benzoic acid, 4-methyl-, octahydro-1,6,8-trihydroxy-7-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-;7-O-deriv, Castanospermine;SCHEMBL9119834;DTXSID10153152;[(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate;Benzoic acid, 4-methyl-, octahydro-1,6,8-trihydroxy-7-indolizinyl ester, [1S-(1.alpha., 6.beta., 7.alpha., 8.beta., 8a .beta.)]-

Suppliers and Price of 7-O-(4-Methylbenzoyl)castanospermine

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 7-O-(4-Methylbenzoyl)castanospermine

Chemical Property:

Vapor Pressure:3.18E-11mmHg at 25°C
Boiling Point:510°C at 760 mmHg
Flash Point:262.2°C
Density:1.39g/cm³
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:307.14197277
Heavy Atom Count:22
Complexity:409

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)OC2C(CN3CCC(C3C2O)O)O
Isomeric SMILES:CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](CN3CC[C@@H]([C@@H]3[C@H]2O)O)O

Technology Process of 7-O-(4-Methylbenzoyl)castanospermine

There total 2 articles about 7-O-(4-Methylbenzoyl)castanospermine 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: 4.0%