Gymnodimine

Base Information

Chemical Name:Gymnodimine
CAS No.:173792-58-0
Molecular Formula:C₃₂H₄₅NO₄
Molecular Weight:507.714
Hs Code.:
UNII:7TV3J97IT8
DSSTox Substance ID:DTXSID60880103
Metabolomics Workbench ID:49352,144155
Wikidata:Q27268839
Mol file:173792-58-0.mol

Synonyms:gymnodimine;gymnodimine A

Suppliers and Price of Gymnodimine

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

American Custom Chemicals Corporation
GYMNODIMINE 95.00%
5MG
$ 495.46

Total 5 raw suppliers

Chemical Property of Gymnodimine

Chemical Property:

Vapor Pressure:6.11E-21mmHg at 25°C
Boiling Point:672.1°Cat760mmHg
PKA:14.17±0.70(Predicted)
Flash Point:360.3°C
PSA：68.12000
Density:1.23g/cm³
LogP:5.86250
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:507.33485892
Heavy Atom Count:37
Complexity:1080

Purity/Quality:

99% ^*data from raw suppliers

GYMNODIMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2CCC(C(=CC3C(=C(CCC34CCCN=C4CCC=C(C1O2)C)C5C=C(C(=O)O5)C)C)C)O
Isomeric SMILES:C[C@@H]1C[C@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC/C=C(/[C@@H]1O2)\C)[C@@H]5C=C(C(=O)O5)C)C)/C)O
Uses Gymnodimines are members of a group of “fast-acting” marine toxins known as cyclic imines.

Technology Process of Gymnodimine

There total 11 articles about Gymnodimine 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: 68.0%

: 1195973-87-5
C₄₃H₆₉NO₇Si

: 173792-58-0
gymnodimine A

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 0.5h; Inert atmosphere;
DOI:10.1021/ja207385y

Reference yield:

: C₃₂H₄₇NO₅

: 173792-58-0
gymnodimine A

Guidance literature:: for 10h; vacuum;
DOI:10.1002/anie.200903432

Reference yield:

: 1195973-83-1
C₂₉H₄₂F₃NO₅

: 173792-58-0
gymnodimine A

Guidance literature:: Multi-step reaction with 4 steps

1.1: titanium tetrachloride / dichloromethane / 0.01 h / 20 °C / Inert atmosphere

2.1: thionyl chloride; triethylamine / dichloromethane / 1 h / -78 °C / Inert atmosphere

3.1: dmap; triethylamine / dichloromethane / 0.42 h / 20 °C / Inert atmosphere

3.2: 0.08 h / 20 °C / Inert atmosphere

4.1: trifluoroacetic acid / dichloromethane / 0.5 h / Inert atmosphere

With dmap; thionyl chloride; titanium tetrachloride; triethylamine; trifluoroacetic acid; In dichloromethane; 1.1: Mukaiyama reaction;
DOI:10.1021/ja207385y