Myriceron caffeoyl ester

Base Information

Chemical Name:Myriceron caffeoyl ester
CAS No.:142877-49-4
Molecular Formula:C₃₉H₅₂O₇
Molecular Weight:632.838
Hs Code.:
Nikkaji Number:J716.637K
Wikidata:Q105236221
ChEMBL ID:CHEMBL3601500
Mol file:142877-49-4.mol

Synonyms:50-235;myriceron caffeoyl ester

Suppliers and Price of Myriceron caffeoyl ester

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

American Custom Chemicals Corporation
MYRICERON CAFFEOYL ESTER 95.00%
5MG
$ 498.44

Total 1 raw suppliers

Chemical Property of Myriceron caffeoyl ester

Chemical Property:

Vapor Pressure:1.01E-23mmHg at 25°C
Boiling Point:751.4°Cat760mmHg
Flash Point:227.4°C
PSA：121.13000
Density:1.24g/cm³
LogP:8.08970
XLogP3:7.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:632.37130399
Heavy Atom Count:46
Complexity:1330

Purity/Quality:: MYRICERON CAFFEOYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)COC(=O)C=CC6=CC(=C(C=C6)O)O)C(=O)O)C
Isomeric SMILES:C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)(C)C

Technology Process of Myriceron caffeoyl ester

There total 7 articles about Myriceron caffeoyl ester 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: 2.3%

: (4aS,6aR,6bR,8aR,12aR,12bR,14bS)-6a-[(E)-3-(3,4-Diacetoxy-phenyl)-acryloyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid

: 55497-79-5
Myriceric acid B

: (4aS,6aR,6bR,8aR,10R,12aR,12bR,14bS)-10-Hydroxy-2,2,6b,9,9,12a-hexamethyl-6a-[(E)-(3-phenyl-acryloyl)oxymethyl]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid

: 142877-49-4
myriceric acid A

Guidance literature:: With potassium tri-sec-butyl-borohydride; In tetrahydrofuran; at -78 ℃; for 4h;
DOI:10.1248/cpb.44.343

Reference yield:

: 186383-03-9
(4aS,6aR,6bR,8aR,12aR,12bR,14bS)-6a-[(E)-3-(3,4-Bis-benzhydryloxy-phenyl)-acryloyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid

: 142877-49-4
myriceric acid A

Guidance literature:: With trifluoroacetic acid; In various solvent(s); for 1.5h; Yield given; Ambient temperature;
DOI:10.1021/jo9615864

Reference yield:

: 145039-10-7
Myricerone

: 142877-49-4
myriceric acid A

Guidance literature:: Multi-step reaction with 3 steps

1: carbonyldiimidazole / CH₂Cl₂ / 6 h / Ambient temperature

2: 95 percent / DBU, LiCl / dimethylformamide / 5 h / Ambient temperature

3: trifluoroacetic acid / various solvent(s) / 1.5 h / Ambient temperature

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,1'-carbonyldiimidazole; trifluoroacetic acid; lithium chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo9615864