(S)-4-Methoxydalbergione

Base Information

Chemical Name:(S)-4-Methoxydalbergione
CAS No.:2543-95-5
Molecular Formula:C16H14 O3
Molecular Weight:254.285
Hs Code.:
DSSTox Substance ID:DTXSID001154141
Nikkaji Number:J14.186K
Wikidata:Q105236045
Metabolomics Workbench ID:129728
ChEMBL ID:CHEMBL255297
Mol file:2543-95-5.mol

Synonyms:(S)-4-Methoxydalbergione;2543-95-5;Dalbergenone;2-methoxy-5-[(1S)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione;(S)-2-Methoxy-5-(1-phenylallyl)cyclohexa-2,5-diene-1,4-dione;2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-[(1S)-1-phenyl-2-propen-1-yl]-;S-4-methoxydalbergione;CHEMBL255297;DTXSID001154141;HY-N9583;AKOS040762947;CS-0201480;2-Methoxy-5-[(1S)-1-phenyl-2-propen-1-yl]-2,5-cyclohexadiene-1,4-dione

Suppliers and Price of (S)-4-Methoxydalbergione

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 16 raw suppliers

Chemical Property of (S)-4-Methoxydalbergione

Chemical Property:

Melting Point:118-120 °C
Boiling Point:395.7±42.0 °C(Predicted)
PSA：43.37000
Density:1.16±0.1 g/cm3(Predicted)
LogP:2.56470
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:254.094294304
Heavy Atom Count:19
Complexity:451

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2
Isomeric SMILES:COC1=CC(=O)C(=CC1=O)[C@@H](C=C)C2=CC=CC=C2

Technology Process of (S)-4-Methoxydalbergione

There total 11 articles about (S)-4-Methoxydalbergione 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: 61.0%

: 251317-26-7
(S)-3-(2',4'-dimethoxyphenyl)-3-phenyl-1-propene

: 2543-95-5
(S)-(-)-4-methoxydalbergione

Guidance literature:: (S)-3-(2',4'-dimethoxyphenyl)-3-phenyl-1-propene; With boron tribromide; In dichloromethane; at 0 ℃; for 1h;

With salcomine; oxygen; In N,N-dimethyl-formamide; for 4h; Further stages.;
DOI:10.1021/ol990961m

Reference yield:

: 2555-31-9
7-methoxy-4-phenyl-2H-chromen-2-one

: 2543-95-5
(S)-(-)-4-methoxydalbergione

Guidance literature:: Multi-step reaction with 6 steps

1.1: 97 percent / LiAlH₄ / tetrahydrofuran; diethyl ether / 0 °C

2.1: 100 percent / potassium carbonate / acetone / Heating

3.1: hydrogen / [Rh((R,R)-bdpp)(NBD)]ClO₄ / methanol / 168 h / 60006 Torr

4.1: 81 percent / n-Bu₃P / tetrahydrofuran / 2 h

5.1: 100 percent / NaIO₄; NaHCO₃ / H₂O; methanol

6.1: BBr₃ / CH₂Cl₂ / 1 h / 0 °C

6.2: 61 percent / salcomine; oxygen / dimethylformamide / 4 h

With sodium periodate; lithium aluminium tetrahydride; tributylphosphine; hydrogen; boron tribromide; sodium hydrogencarbonate; potassium carbonate; [Rh((R,R)-bdpp)(NBD)]ClO₄; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; water; acetone;
DOI:10.1021/ol990961m

Reference yield:

: 10386-53-5
3-(2-hydroxy-4-methoxyphenyl)-3-phenyl allyl alcohol

: 2543-95-5
(S)-(-)-4-methoxydalbergione

Guidance literature:: Multi-step reaction with 5 steps

1.1: 100 percent / potassium carbonate / acetone / Heating

2.1: hydrogen / [Rh((R,R)-bdpp)(NBD)]ClO₄ / methanol / 168 h / 60006 Torr

3.1: 81 percent / n-Bu₃P / tetrahydrofuran / 2 h

4.1: 100 percent / NaIO₄; NaHCO₃ / H₂O; methanol

5.1: BBr₃ / CH₂Cl₂ / 1 h / 0 °C

5.2: 61 percent / salcomine; oxygen / dimethylformamide / 4 h

With sodium periodate; tributylphosphine; hydrogen; boron tribromide; sodium hydrogencarbonate; potassium carbonate; [Rh((R,R)-bdpp)(NBD)]ClO₄; In tetrahydrofuran; methanol; dichloromethane; water; acetone;
DOI:10.1021/ol990961m