Aplysistatin

Base Information

Chemical Name:Aplysistatin
CAS No.:62003-89-8
Molecular Formula:C15H21BrO3
Molecular Weight:329.2294
Hs Code.:
DSSTox Substance ID:DTXSID20211055
Nikkaji Number:J17.920E
Wikidata:Q72448854
Metabolomics Workbench ID:167554
Mol file:62003-89-8.mol

Synonyms:aplysistatin

Suppliers and Price of Aplysistatin

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 Aplysistatin

Chemical Property:

Vapor Pressure:5.59E-08mmHg at 25°C
Boiling Point:441.1°Cat760mmHg
Flash Point:220.6°C
PSA：35.53000
Density:1.38g/cm³
LogP:3.21690
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:328.06741
Heavy Atom Count:19
Complexity:443

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(CCC2(C1CC=C3C(O2)COC3=O)C)Br)C
Isomeric SMILES:C[C@]12CC[C@@H](C([C@@H]1CC=C3[C@@H](O2)COC3=O)(C)C)Br

Technology Process of Aplysistatin

There total 30 articles about Aplysistatin 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: 90.0%

: 77249-86-6
(+)-palisadin A

: 62003-89-8
aplysistatin

Guidance literature:: With pyridinium chlorochromate; In benzene; at 25 ℃; for 48h;
DOI:10.1002/chem.200400407

Reference yield: 50.0%

: 771531-78-3
((2R,5aS,7S,9aS)-7-Bromo-3-hydroxymethyl-6,6,9a-trimethyl-2,5,5a,6,7,8,9,9a-octahydro-benzo[b]oxepin-2-yl)-methanol

: 62003-89-8
aplysistatin

Guidance literature:: With manganese(IV) oxide; In dichloromethane; at 25 ℃; for 2h;
DOI:10.1002/chem.200400407

Reference yield:

: 771531-58-9
(1S,2S,4S)-2-Allyl-4-bromo-1,3,3-trimethyl-cyclohexanol

: 62003-89-8
aplysistatin

Guidance literature:: Multi-step reaction with 5 steps

1.1: BF₃*OEt₂ / CH₂Cl₂ / 0 °C

1.2: 50 percent / TBAF / tetrahydrofuran / 3 h / 0 °C

2.1: 80 percent / RuCH=RuCH[(Mes)NCH₂CH₂N(Mes)](PCy₃)Cl₂ / CH₂Cl₂ / 17 h

3.1: aq. NaIO₄ / methanol / 0.33 h / 25 °C

3.2: 75 percent / NaHB₄ / methanol / 1 h / 0 °C

4.1: 76 percent / aq. DDQ / CH₂Cl₂ / 3 h / 25 °C

5.1: 50 percent / MnO₂ / CH₂Cl₂ / 2 h / 25 °C

With manganese(IV) oxide; sodium periodate; boron trifluoride diethyl etherate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In methanol; dichloromethane;
DOI:10.1002/chem.200400407