3,4-Dehydro-6-hydroxymellein

Base Information

Chemical Name:3,4-Dehydro-6-hydroxymellein
CAS No.:1204-37-1
Molecular Formula:C10H8O4
Molecular Weight:192.16800
Hs Code.:2932999099
ChEMBL ID:CHEMBL559789
DSSTox Substance ID:DTXSID50415064
Metabolomics Workbench ID:70100
Nikkaji Number:J61.259F
Pharos Ligand ID:YU25GKRXQYLC
Wikidata:Q27105447
Mol file:1204-37-1.mol

Synonyms:1204-37-1;3,4-Dehydro-6-hydroxymellein;1H-2-benzopyran-1-one, 6,8-dihydroxy-3-methyl-;6,8-dihydroxy-3-methylisocoumarin;6,8-dihydroxy-3-methylisochromen-1-one;CHEBI:1369;CHEMBL559789;C03830;6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one;6,8-dihydroxy-3-methyl-isochromen-1-one;6,8-dihydroxy-3-methyl-1H-isochromen-1-one;AC1NQXBQ;SureCN1520526;MEGxm0_000264;SCHEMBL1520526;ACon1_002418;DTXSID50415064;BDBM50485548;AKOS022643888;NCGC00169867-01;NS00134339;BRD-K15024928-001-01-5;Q27105447;6,8-Dihydroxy-3-methylisocoumarin, >=95% (LC/MS-UV);InChI=1/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H

Suppliers and Price of 3,4-Dehydro-6-hydroxymellein

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 7 raw suppliers

Chemical Property of 3,4-Dehydro-6-hydroxymellein

Chemical Property:

PSA：70.67000
LogP:1.51260
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:192.04225873
Heavy Atom Count:14
Complexity:284

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=CC(=CC(=C2C(=O)O1)O)O

Technology Process of 3,4-Dehydro-6-hydroxymellein

There total 16 articles about 3,4-Dehydro-6-hydroxymellein 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: 95.0%

: 18110-66-2
6,8‐dimethoxy‐3‐methylisocoumarin

: 1204-37-1
saccharonol A

Guidance literature:: With boron tribromide; In dichloromethane; 1.) -78 deg C up to RT; 2.) RT, 3 d;

Reference yield:

: 7311-34-4
3,5-dimethoxybenzaldehdye

: 1204-37-1
saccharonol A

Guidance literature:: Multi-step reaction with 6 steps

1: 74 percent / propionic anhydride / 15 h / 155 - 160 °C

2: 100 percent / H₂ / 10percent Pd/C / ethyl acetate / 20 h / 1551.4 Torr

3: 88 percent / polyphosphoric acid (PPA) / 0.2 h / 90 °C

4: 88 percent / 1.5 h / Ambient temperature

5: 61 percent / O₃ / ethyl acetate / 15 h / -55 °C

6: BBr₃ / CH₂Cl₂

With PPA; Polyphosphoric acid (PPA); hydrogen; boron tribromide; ozone; propionic acid anhydride; palladium on activated charcoal; In dichloromethane; ethyl acetate;
DOI:10.1021/jo00278a043

Reference yield:

: 122333-93-1
3-(3,5-dimethoxyphenyl)-2-methylpropenoic acid

: 1204-37-1
saccharonol A

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / H₂ / 10percent Pd/C / ethyl acetate / 20 h / 1551.4 Torr

2: 88 percent / polyphosphoric acid (PPA) / 0.2 h / 90 °C

3: 88 percent / 1.5 h / Ambient temperature

4: 61 percent / O₃ / ethyl acetate / 15 h / -55 °C

5: BBr₃ / CH₂Cl₂

With PPA; Polyphosphoric acid (PPA); hydrogen; boron tribromide; ozone; palladium on activated charcoal; In dichloromethane; ethyl acetate;
DOI:10.1021/jo00278a043