Flavocommelin

Base Information

Chemical Name:Flavocommelin
CAS No.:16049-42-6
Molecular Formula:C28H32 O15
Molecular Weight:608.553
Hs Code.:
DSSTox Substance ID:DTXSID601347407
Nikkaji Number:J440.086K
Mol file:16049-42-6.mol

Synonyms:flavocommelin

Suppliers and Price of Flavocommelin

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 Flavocommelin

Chemical Property:

Melting Point:216-217 °C
Boiling Point:892.3±65.0 °C(Predicted)
PKA:5.75±0.40(Predicted)
PSA：249.20000
Density:1.642±0.06 g/cm3(Predicted)
LogP:-2.13220
XLogP3:-1.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:608.17412031
Heavy Atom Count:43
Complexity:987

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O
Isomeric SMILES:COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Technology Process of Flavocommelin

There total 20 articles about Flavocommelin 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: 90.0%

: 749256-81-3
5-acetoxy-6-C-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-4'-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranozyl)-7-methoxyflavone

: 16049-42-6
Flavocommelin

Guidance literature:: With potassium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 16h;
DOI:10.1021/jo0494681

Reference yield: 84.0%

: 1437307-76-0
5-benzoyl-6-C-(2'',3'',4'',6''-tetra-O-acetyl-β-D-glucopyranosyl)-4'-O-(2''',3''',4''',6'''-tetra-O-acetyl-β-D-glucopyranosyl)-7-methoxyflavone

: 16049-42-6
Flavocommelin

Guidance literature:: 5-benzoyl-6-C-(2'',3'',4'',6''-tetra-O-acetyl-β-D-glucopyranosyl)-4'-O-(2''',3''',4''',6'''-tetra-O-acetyl-β-D-glucopyranosyl)-7-methoxyflavone; With sodium methoxide; In methanol; at 20 ℃; for 1h;

In methanol; stereoselective reaction;
DOI:10.1016/j.carres.2013.03.016

Reference yield:

: 749256-76-6
5,4'-diacetoxy-6-C-(2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl)-7-methoxyflavan

: 16049-42-6
Flavocommelin

Guidance literature:: Multi-step reaction with 7 steps

1: H₂ / Pd(OH)2/C / methanol; ethyl acetate / 1.5 h / 20 °C / 760 Torr

2: 4-dimethylaminopyridine; pyridine / 1 h / 60 °C

3: 43 percent / ceric ammonium nitrite; acetic acid / acetonitrile; H₂O / 0.5 h / 50 °C

4: 80 percent / AcCl / methanol; CHCl₃ / 2 h / 20 °C

5: 84 percent / 2,6-di-tert-butyl-4-methylpyridine; BF₃*Et₂O / CH₂Cl₂ / 1 h / 20 °C

6: 83 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / chlorobenzene / 13 h / 140 °C

7: 90 percent / KOH / methanol; tetrahydrofuran / 16 h / 20 °C

With pyridine; dmap; potassium hydroxide; 2,6-di-tert-butyl-4-methylpyridine; ammonium cerium(IV) nitrate; boron trifluoride diethyl etherate; hydrogen; acetic acid; acetyl chloride; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium dihydroxide; In tetrahydrofuran; methanol; dichloromethane; chloroform; water; ethyl acetate; chlorobenzene; acetonitrile;
DOI:10.1021/jo0494681