(S)-Isosclerone

Base Information

Chemical Name:(S)-Isosclerone
CAS No.:54712-38-8
Molecular Formula:C₁₀H₁₀O₃
Molecular Weight:178.188
Hs Code.:
UNII:AU5N5H7K3C
Nikkaji Number:J607.516I
Wikidata:Q104202913
Metabolomics Workbench ID:48314
ChEMBL ID:CHEMBL448359
Mol file:54712-38-8.mol

Synonyms:(S)-Isosclerone;62332-73-4;(+/-)-Isosclerone;1(2H)-Naphthalenone, 3,4-dihydro-4,8-dihydroxy-;Isosclerone, (+/-)-;4,8-DIHYDROXY-1-TETRALONE;AU5N5H7K3C;4,8-Dihydroxytetralin-1-one;4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;UNII-AU5N5H7K3C;3,4-Dihydro-4,8-dihydroxy-1(2H)-naphthalenone;(4rs)-4,8-dihydroxy-3,4-dihydronaphthalen-1(2h)-one;4,8-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-one;(4S)-4,8-Dihydroxy-alpha-tetralone;CHEMBL448359;ACon1_001617;4,8-DHT;CHEBI:192112;BDBM50597760;AKOS022639864;NCGC00180322-01;BRD-A75320967-001-01-8

Suppliers and Price of (S)-Isosclerone

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 (S)-Isosclerone

Chemical Property:

PSA：57.53000
LogP:1.40210
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:214

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=O)C2=C(C1O)C=CC=C2O

Technology Process of (S)-Isosclerone

There total 15 articles about (S)-Isosclerone 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: 50.0%

: 481-39-0
5-hydroxynaphtho-1,4-quinone

: 149341-67-3
(3S,4R)-3,4,8-trihydroxy-1-tetralone

: 54712-38-8,51114-98-8,62332-73-4,137494-04-3
(-)-(4S)-4,8-dihydroxy-α-tetralone

: 36134-66-4,81339-27-7,112924-86-4,149341-67-3
(3R,4R)-3,4-dihydro-3,4,8-trihydroxy-1(2H)-naphthalenone

Guidance literature:: With Paraconiothyrium variabile resting cells; In aq. phosphate buffer; at 25 ℃; for 48h;
DOI:10.1016/j.tetlet.2012.12.038

Reference yield: 40.0%

: benzyl 8-(benzyloxy)-1,2,3,4-tetrahydro-4-hydroxy-1-oxonaphthalene-2-carboxylate

: 51114-98-8,54712-38-8,62332-73-4,137494-04-3
isosclerone

Guidance literature:: benzyl 8-(benzyloxy)-1,2,3,4-tetrahydro-4-hydroxy-1-oxonaphthalene-2-carboxylate; With hydrogen; palladium on activated charcoal; In tetrahydrofuran; under 760 Torr;

In tetrahydrofuran; water; at 50 ℃; for 5h;
DOI:10.1002/hlca.200390014