6-Methoxymellein

Base Information

Chemical Name:6-Methoxymellein
CAS No.:13410-15-6
Molecular Formula:C11H12 O4
Molecular Weight:208.21
Hs Code.:2932209090
UNII:424N0263W4
DSSTox Substance ID:DTXSID90928441
Nikkaji Number:J14.898I
Wikipedia:6-Methoxymellein
Wikidata:Q76005998
Metabolomics Workbench ID:52889
ChEMBL ID:CHEMBL449604
Mol file:13410-15-6.mol

Synonyms:6-methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin;6-methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin, (R)-(-)-isomer;6-methoxymellein;6-MHMD-isocoumarin

Suppliers and Price of 6-Methoxymellein

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 4 raw suppliers

Chemical Property of 6-Methoxymellein

Chemical Property:

Vapor Pressure:1.66E-08mmHg at 25°C
Boiling Point:444.2°Cat760mmHg
Flash Point:180.2°C
PSA：55.76000
Density:1.252g/cm³
LogP:1.50220
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:208.07355886
Heavy Atom Count:15
Complexity:253

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2=C(C(=CC(=C2)OC)O)C(=O)O1
Isomeric SMILES:C[C@@H]1CC2=C(C(=CC(=C2)OC)O)C(=O)O1

Technology Process of 6-Methoxymellein

There total 10 articles about 6-Methoxymellein 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: 100.0%

: 70901-60-9
(R)-6-hydroxymellein

: 77-78-1
dimethyl sulfate

: 13410-15-6
(R)-8-hydroxy-6-methoxy-3-methylisochroman-1-one

Guidance literature:: With potassium carbonate; In acetone; at 20 ℃;
DOI:10.1002/chem.202101447

Reference yield: 70.0%

: 15766-71-9
(3R)-3,4-dihydro-6,8-dimethoxy-3-methylisocoumarin

: 13410-15-6
(R)-8-hydroxy-6-methoxy-3-methylisochroman-1-one

Guidance literature:: With boron trichloride; In n-heptane; dichloromethane; at -10 ℃; for 2h;
DOI:10.1016/j.tet.2020.131524

Reference yield:

: C₁₁H₁₄O₄

: 13410-15-6
(R)-8-hydroxy-6-methoxy-3-methylisochroman-1-one

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; at 20 ℃; for 4h; Inert atmosphere; Schlenk technique;
DOI:10.1002/ange.202008365