3,9-Dihydroxypterocarpan

Base Information

Chemical Name:3,9-Dihydroxypterocarpan
CAS No.:61135-91-9
Molecular Formula:C₁₅H₁₂O₄
Molecular Weight:256.258
Hs Code.:
DSSTox Substance ID:DTXSID80210024
Nikkaji Number:J346.404K
Wikidata:Q27098166
Metabolomics Workbench ID:50205
ChEMBL ID:CHEMBL1098413
Mol file:61135-91-9.mol

Synonyms:3,9-dihydroxypterocarpan

Suppliers and Price of 3,9-Dihydroxypterocarpan

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

Arctom
3,9-Dihydroxypterocarpan ≥98%
5mg
$ 418.00

Total 12 raw suppliers

Chemical Property of 3,9-Dihydroxypterocarpan

Chemical Property:

Vapor Pressure:9.83E-09mmHg at 25°C
Boiling Point:450.5°C at 760 mmHg
Flash Point:226.3°C
PSA：58.92000
Density:1.429g/cm³
LogP:2.70750
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:256.07355886
Heavy Atom Count:19
Complexity:347

Purity/Quality:

98%Min ^*data from raw suppliers

3,9-Dihydroxypterocarpan ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
Isomeric SMILES:C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O

Technology Process of 3,9-Dihydroxypterocarpan

There total 5 articles about 3,9-Dihydroxypterocarpan 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: 28.0%

: 141330-26-9,141330-28-1
(+/-)-cis-3-<2,4-Bis(methoxymethoxy)phenyl>-3,4-dihydro-7-(methoxymethoxy)-2H-1-benzopyran-4-ol

: 79852-13-4
haginin D

: 61135-91-9,63901-96-2,75556-91-1,105815-70-1
(+/-)-9-O-Demethylmedicarpin

Guidance literature:: With acetic acid; 1.) 75 deg C, 2 h, 2.) reflux, 10 min;
DOI:10.1002/hlca.19920750205

Reference yield:

: 113250-45-6
3-<2,4-Bis(methoxymethoxy)phenyl>-7-(methoxymethoxy)-4H-1-benzopyran-4-on

: 61135-91-9,63901-96-2,75556-91-1,105815-70-1
(+/-)-9-O-Demethylmedicarpin

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / 20 percent DIBAH / tetrahydrofuran; toluene / 2.5 h / -60 - -55 °C

2: 64 percent / NaBH₄ / tetrahydrofuran; ethanol

3: 31 percent / 50 percent aq. AcOH / 1.) 75 deg C, 2 h, 2.) reflux, 10 min

With sodium tetrahydroborate; diisobutylaluminium hydride; acetic acid; In tetrahydrofuran; ethanol; toluene;
DOI:10.1002/hlca.19920750205

Reference yield:

: 141330-20-3
7-(Methoxymethoxy)-3-<4-(methoxymethoxy)phenyl>-4H-1-benzopyran-4-on

: 61135-91-9,63901-96-2,75556-91-1,105815-70-1
(+/-)-9-O-Demethylmedicarpin

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / 20 percent DIBAH / tetrahydrofuran; toluene / 2.5 h / -60 - -55 °C

2: 64 percent / NaBH₄ / tetrahydrofuran; ethanol

3: 31 percent / 50 percent aq. AcOH / 1.) 75 deg C, 2 h, 2.) reflux, 10 min

With sodium tetrahydroborate; diisobutylaluminium hydride; acetic acid; In tetrahydrofuran; ethanol; toluene;
DOI:10.1002/hlca.19920750205