Phyllanthocin

Base Information

Chemical Name:Phyllanthocin
CAS No.:62948-37-2
Molecular Formula:C25H30O7
Molecular Weight:442.509
Hs Code.:
NSC Number:345395
DSSTox Substance ID:DTXSID00420446

Synonyms:PHYLLANTHOCIN;NSC345395;62948-37-2;DTXSID00420446;FTFBXBYKTCZEQG-DHZHZOJOSA-N;NSC-345395;Dispiro[oxirane-2,3'(2'H)-benzofuran-2',2''-[2H]pyran]-6'-carboxylic acid, decahydro-5''-methyl-4''-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, [2'R-[2'.alpha.[4''R*(E),5''S*],3'.beta.,3'a.alpha.,6'.alpha.,7'a.alpha.]]-

Suppliers and Price of Phyllanthocin

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 Phyllanthocin

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:442.19915329
Heavy Atom Count:32
Complexity:759

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC
Isomeric SMILES:CC1COC2(CC1OC(=O)/C=C/C3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC

Technology Process of Phyllanthocin

There total 71 articles about Phyllanthocin 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: 82.0%

: 82167-85-9
methyl (2R,2'S,3'aR,6'S,7'aR,4''S,5''S)-decahydro-4''-hydroxy-5''-methyl-3'a,6',7',7'a,3'',4'',5'',6''-octahydrodispiropyran>-6'-carboxylate

: 102-92-1,17082-09-6
Cinnamoyl chloride

: 62948-37-2
(+)-Phyllanthocin

Guidance literature:: With dmap; In dichloromethane; for 19h; Heating;
DOI:10.1021/jo00294a030

Reference yield:

: 124-41-4
sodium methylate

: 63166-73-4,134357-80-5
phyllanthoside

: 62948-37-2,131102-87-9
phyllanthocin

: 16741-34-7,73246-48-7,74410-56-3,88547-61-9,88548-11-2,123878-16-0,130009-30-2,130009-31-3,130856-80-3,130856-81-4,134357-73-6,148152-56-1
phyllanthose

Guidance literature:: In methanol;
DOI:10.1139/v82-141

Reference yield:

: (S)-[(1R,2R,4S)-4-Benzyloxymethyl-2-(tert-butyl-dimethyl-silanyloxy)-cyclohexyl]-{2-[(2S,3R)-4-(tert-butyl-diphenyl-silanyloxy)-2-(2-methoxy-ethoxymethoxy)-3-methyl-butyl]-[1,3]dithian-2-yl}-methanol

: 62948-37-2
(+)-Phyllanthocin

Guidance literature:: Multi-step reaction with 10 steps

1: 61 percent / n-Bu₄NF / tetrahydrofuran / 2 h / Ambient temperature

2: HgCl₂, HgO / H₂O; acetonitrile / 0.5 h / Ambient temperature

3: CF₃COOH / CH₂Cl₂ / 0.02 h

4: 38.8 mg / Jones' reagent / acetone / 0.75 h / Ambient temperature

5: 82.2 percent / H₂ / 10percent Pd-C / ethyl acetate / 0.75 h / Ambient temperature

6: 95 percent / Jones' reagent / acetone / 0.5 h / Ambient temperature

7: diethyl ether

8: 100 percent / ZnBr₂ / CH₂Cl₂ / 8 h / Ambient temperature

9: 91.6 percent / tetrahydrofuran / 0.17 h / Ambient temperature

10: 72.6 percent / 4-(dimethylamino)pyridine / 8 h / Heating

With dmap; jones' reagent; tetrabutyl ammonium fluoride; hydrogen; trifluoroacetic acid; mercury dichloride; mercury(II) oxide; zinc dibromide; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; dichloromethane; water; ethyl acetate; acetone; acetonitrile;
DOI:10.1021/ja00322a035