Isosacculatal

Base Information

Chemical Name:Isosacculatal
CAS No.:64282-29-7
Molecular Formula:C₂₀H₃₀O₂
Molecular Weight:302.457
Hs Code.:
DSSTox Substance ID:DTXSID701346719
Nikkaji Number:J18.265F
Wikidata:Q104961594
Mol file:64282-29-7.mol

Synonyms:Isosacculatal;64282-29-7;DTXSID701346719;(1S,4AS,5S,8AS)-5BETA,8ABETA-DIMETHYL-1ALPHA,2-DIFORMYL-5AALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA)-OCTAHYDRONAPHTHALENE

Suppliers and Price of Isosacculatal

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 0 raw suppliers

Chemical Property of Isosacculatal

Chemical Property:

PSA：34.14000
LogP:4.88960
XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:302.224580195
Heavy Atom Count:22
Complexity:498

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC1(CCCC2(C1CC=C(C2C=O)C=O)C)C)C
Isomeric SMILES:CC(=CCC[C@@]1(CCC[C@]2([C@H]1CC=C([C@H]2C=O)C=O)C)C)C

Technology Process of Isosacculatal

There total 5 articles about Isosacculatal 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: 26.3%

: (4aS,5S,8aS)-5β,8aβ-dimethyl-2-(1,3-dioxolan-2-yl)-1--1,4,4aα,5,6,7,8,8a-octahydro-1-naphthalenol

: 64282-29-7
isosacculatal

: 64242-90-6
7,17-sacculatadiene-11,12-dial

: (4aS,5S,8aS)-5β,8aβ-dimethyl-2-formyl-1E-methoxymethylene-5α-(4-methyl-3-pentenyl)-1,4,4aα,5,6,7,8,8a-octahydronaphthalene

: (4aS,5S,8aS)-5β,8aβ-dimethyl-2-formyl-1Z-methoxymethylene-5α-(4-methyl-3-pentenyl)-1,4,4aα,5,6,7,8,8a-octahydronaphthalene

Guidance literature:: With hydrogen fluoride; In diethyl ether; for 6h; Ambient temperature;
DOI:10.1246/bcsj.62.624

Reference yield:

: 122934-74-1
(4aS,5S,8aS)-(-)-5β,8aβ-dimethyl-5α-(4-methyl-3-pentenyl)-3,4,4a,5,6,7,8,8a-octahydro-1(2H)-naphthalenone

: 64282-29-7
isosacculatal

Guidance literature:: Multi-step reaction with 5 steps

1: 67.4 mg / 60percent NaH / benzene / Ambient temperature

2: 162 mg / DDQ / dioxane / 1 h

3: 45 mg / p-TsOH / benzene / 0.5 h / Heating

4: 1.) s-BuLi / 1.) THF, hexane, -30 to -25 deg c, 30 min; 2.) THF, hexane, -25 to 0 deg C, 30 min then 0 deg C, 30 min

5: 15.6 percent / 46percent aq. HF / diethyl ether / 6 h / Ambient temperature

With hydrogen fluoride; sec.-butyllithium; sodium hydride; toluene-4-sulfonic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; diethyl ether; benzene;
DOI:10.1246/bcsj.62.624

Reference yield:

: 123257-72-7
(4aS,5S,8aS)-(+)-5β,8aβ-dimethyl-2-formyl-5α-(4-methyl-3-pentenyl)-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone

: 64282-29-7
isosacculatal

Guidance literature:: Multi-step reaction with 3 steps

1: 45 mg / p-TsOH / benzene / 0.5 h / Heating

2: 1.) s-BuLi / 1.) THF, hexane, -30 to -25 deg c, 30 min; 2.) THF, hexane, -25 to 0 deg C, 30 min then 0 deg C, 30 min

3: 15.6 percent / 46percent aq. HF / diethyl ether / 6 h / Ambient temperature

With hydrogen fluoride; sec.-butyllithium; toluene-4-sulfonic acid; In diethyl ether; benzene;
DOI:10.1246/bcsj.62.624