Boscialin

Base Information

Chemical Name:Boscialin
CAS No.:129277-03-8
Molecular Formula:C13H22 O3
Molecular Weight:226.312
Hs Code.:
Nikkaji Number:J866.573G,J958.532J
Wikidata:Q104971349
Metabolomics Workbench ID:141606
ChEMBL ID:CHEMBL517695

Synonyms:boscialin

Suppliers and Price of Boscialin

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 5 raw suppliers

Chemical Property of Boscialin

Chemical Property:

Vapor Pressure:2.35E-06mmHg at 25°C
Boiling Point:351.8°C at 760 mmHg
Flash Point:180.8°C
PSA：57.53000
Density:1.094g/cm³
LogP:1.67970
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:226.15689456
Heavy Atom Count:16
Complexity:306

Purity/Quality:: 98.0% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(CC(C1(C=CC(=O)C)O)(C)C)O
Isomeric SMILES:C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(=O)C)O)(C)C)O

Technology Process of Boscialin

There total 4 articles about Boscialin 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: 92.8%

: 205172-21-0
(E)-4-[(1R,4R,6S)-4-(tert-Butyl-dimethyl-silanyloxy)-1-hydroxy-2,2,6-trimethyl-cyclohexyl]-but-3-en-2-one

: 129277-03-8
(-)-boscialin

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 16h; Ambient temperature;
DOI:10.1021/np970517x

Reference yield:

: 60046-49-3
(6R)-levodione

: 129277-03-8
(-)-boscialin

Guidance literature:: Multi-step reaction with 6 steps

1: 83 percent / H₂ / Raney-Ni (W₂-activity) / methanol / 1 h

2: 81.2 percent / aq. HCl (37percent) / CH₂Cl₂ / 1.17 h / Ambient temperature

3: 85.5 percent / imidazole / dimethylformamide / 1.5 h

4: 1.) tri-n-butylstannane, azobis(isobutyronitrile, 2.) n-BuLi / 1) 130 deg C, 16 h; 2) THF, hexane, -78 deg C, 90 min; 3) THF, hexane, -78 deg C, 2 h

5: 83 percent / pyridinium fluorochromate / tetrahydrofuran / 16 h / Ambient temperature

6: 92.8 percent / Bu₄NF / tetrahydrofuran / 16 h / Ambient temperature

With 1H-imidazole; hydrogenchloride; n-butyllithium; 2,2'-azobis(isobutyronitrile); tetrabutyl ammonium fluoride; hydrogen; tri-n-butyl-tin hydride; tripropylammonium fluorochromate (VI); Raney-Ni (W₂-activity); In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/np970517x

Reference yield:

: 20548-02-1,55058-51-0,60686-81-9,60686-82-0,82977-53-5,90082-06-7,90129-05-8,99881-84-2,60046-50-6
(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one

: 129277-03-8
(-)-boscialin

Guidance literature:: Multi-step reaction with 5 steps

1: 81.2 percent / aq. HCl (37percent) / CH₂Cl₂ / 1.17 h / Ambient temperature

2: 85.5 percent / imidazole / dimethylformamide / 1.5 h

3: 1.) tri-n-butylstannane, azobis(isobutyronitrile, 2.) n-BuLi / 1) 130 deg C, 16 h; 2) THF, hexane, -78 deg C, 90 min; 3) THF, hexane, -78 deg C, 2 h

4: 83 percent / pyridinium fluorochromate / tetrahydrofuran / 16 h / Ambient temperature

5: 92.8 percent / Bu₄NF / tetrahydrofuran / 16 h / Ambient temperature

With 1H-imidazole; hydrogenchloride; n-butyllithium; 2,2'-azobis(isobutyronitrile); tetrabutyl ammonium fluoride; tri-n-butyl-tin hydride; tripropylammonium fluorochromate (VI); In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/np970517x