Tridemorph

Base Information

• Chemical Name: Tridemorph
• CAS No.: 24602-86-6
• Molecular Formula: C19H39NO
• Molecular Weight: 297.525
• Hs Code.: 29349990
• European Community (EC) Number: 246-347-3,617-232-9
• NSC Number: 232676
• DSSTox Substance ID: DTXSID3041376
• Nikkaji Number: J20.161H
• Wikipedia: Tridemorph
• Wikidata: Q209280
• Metabolomics Workbench ID: 45121
• ChEMBL ID: CHEMBL2286765
• Mol file: 24602-86-6.mol

Synonyms:Calixin;tridemorph;tridemorph, (cis)-isomer;tridemorph, (trans)-isomer

Chemical Property of Tridemorph

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: 1.449
• Boiling Point: 371.268 °C at 760 mmHg
• PKA: 7.63±0.10(Predicted)
• Flash Point: 109.499 °C
• PSA: 12.47000
• Density: 0.856 g/cm³
• LogP: 5.34450
• Storage Temp.: 0-6°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 297.303164868
• Heavy Atom Count: 21
• Complexity: 222

Purity/Quality:

99%min, ^*data from raw suppliers

Tridemorph ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T;N,N,T
• Statements: 20/22-38-50/53-61
• Safety Statements: 45-53-60-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Animal-Derived Allergens
• Canonical SMILES: CCCCCCCCCCCCCN1CC(OC(C1)C)C
• Uses: Tridemorph is a known fungicide that is used to control the fungus Erysiphe graminis in cereals. Tridemorph is also utilized for agriculture purposes such as fungicidal control of crops.

Technology Process of Tridemorph

There total 15 articles about Tridemorph 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: 99.0%

1-amino-1-cyanocyclopentane (49830-37-7) → 1-amino-1-cyclopentanecarboxylic acid (52-52-8)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; for 8h; Inert atmosphere; Reflux;

DOI:10.1021/acscombsci.6b00005

Reference yield: 83.0%

phosphoric acid on silica gel + N-tridecyl-bis-(2-hydroxypropyl)-amine (62889-66-1) → Tridemorph (24602-86-6)

Guidance literature:

With nitrogen; aluminum nickel; In hydrogen;

Reference yield: 75.0%

1,3-diazaspiro[4.4]nonane-2,4-dione (699-51-4) → 1-amino-1-cyclopentanecarboxylic acid (52-52-8)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1021/jm00378a023

upstream raw materials:

N-tridecyl-bis-(2-hydroxypropyl)-amine

1-hydroxyamino-cyclopentanecarboxylic acid

potassium cyanide

cyclopentanone

Refernces

• 1、 Stoyanov, Neyko,Marinov, Marin. "Two methods for spirothiohydantoin synthesis". . p. 680 - 685,6. Retrieved 2020/08/24.
• 2、 -. "PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION". . . Retrieved 2010/04/25.