Ichthyothereol

Base Information

Chemical Name:Ichthyothereol
CAS No.:2294-61-3
Molecular Formula:C₁₄H₁₄O₂
Molecular Weight:214.264
Hs Code.:
UNII:6VLN4U8PSW
DSSTox Substance ID:DTXSID101156869
Nikkaji Number:J17.225A,J1.477.785G
Wikipedia:Ichthyothereol
Wikidata:Q15133281
Metabolomics Workbench ID:199818
Mol file:2294-61-3.mol

Synonyms:ichthyothereol;ichthyothereol acetate;ichthyothereol acetate, (2alpha(E),3beta)-isomer;ichthyothereol acetate, (2S-(2alpha(E),3beta))-isomer;ichthyothereol, (2alpha(E),3beta)-isomer;ichthyothereol, (2S-(2alpha(E),3beta))-isomer

Suppliers and Price of Ichthyothereol

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 Ichthyothereol

Chemical Property:

Vapor Pressure:1.64E-05mmHg at 25°C
Boiling Point:326.5°C at 760 mmHg
Flash Point:144°C
PSA：29.46000
Density:1.167g/cm³
LogP:1.11260
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:214.099379685
Heavy Atom Count:16
Complexity:446

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CC#CC#CC=CC1C(CCCO1)O
Isomeric SMILES:CC#CC#CC#C/C=C/[C@H]1[C@@H](CCCO1)O

Technology Process of Ichthyothereol

There total 4 articles about Ichthyothereol 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: 100.0%

: 362675-52-3
(2S,3R)-(-)-3-(tert-butyldimethylsiloxy)-2-[(1E)-non-3,5,7-triyn-1-enyl]tetrahydropyran

: 2294-61-3
ichthyotherol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;
DOI:10.1021/jo0104532

Reference yield:

: 362675-46-5
(2S,3R)-(-)-3-(tert-butyldimethylsiloxy)-2-ethynyltetrahydropyran

: 2294-61-3
ichthyotherol

Guidance literature:: Multi-step reaction with 3 steps

1.1: tributyltin hydride / PdCl₂(PPh₃)2 / tetrahydrofuran / 3 h / -30 - 0 °C

1.2: 83 percent / I₂ / CH₂Cl₂ / 1 h / 20 °C

2.1: 95 percent / PdCl₂(PPh₃)2 / tetrahydrofuran / 24 h / 20 °C

3.1: 100 percent / tetrabutylammonium fluoride / tetrahydrofuran / 2 h / 20 °C

With tetrabutyl ammonium fluoride; tri-n-butyl-tin hydride; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran;
DOI:10.1021/jo0104532

Reference yield:

: 362675-47-6
(2S,3R)-(-)-3-(tert-butyldimethylsiloxy)-2-[(E)-2-iodovinyl]tetrahydropyran

: 2294-61-3
ichthyotherol

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / PdCl₂(PPh₃)2 / tetrahydrofuran / 24 h / 20 °C

2: 100 percent / tetrabutylammonium fluoride / tetrahydrofuran / 2 h / 20 °C

With tetrabutyl ammonium fluoride; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran;
DOI:10.1021/jo0104532