Trichodermin

Base Information

• Chemical Name: Trichodermin
• CAS No.: 4682-50-2
• Molecular Formula: C₁₇H₂₄O₄
• Molecular Weight: 292.375
• UNII: WF22557W91
• DSSTox Substance ID: DTXSID701017605
• Nikkaji Number: J8.760B
• Wikipedia: Trichodermin
• Wikidata: Q256431
• ChEMBL ID: CHEMBL4463552
• Mol file: 4682-50-2.mol

Synonyms:Trichodermin;Trichodermol

Chemical Property of Trichodermin

Chemical Property:

• Vapor Pressure: 1.05E-05mmHg at 25°C
• Melting Point: 46°, 58-60° (Colvin)
• Refractive Index: 1.545
• Boiling Point: 371.2°Cat760mmHg
• Flash Point: 161°C
• PSA: 48.06000
• Density: 1.19g/cm³
• LogP: 2.61090
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 292.16745924
• Heavy Atom Count: 21
• Complexity: 541

Purity/Quality:

99.0% ^*data from raw suppliers

TRICHODERMIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C)C)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)C)C)C

Technology Process of Trichodermin

There total 9 articles about Trichodermin 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:

→ trichodermin (4682-50-2,33722-76-8,52193-77-8)

Guidance literature:

aus dem Ketoacetat (31), n-Butyllithium, Trimethylsulfoniumiodid;

Reference yield:

→ (+/-)-Trichodermin (4682-50-2,33722-76-8,52193-77-8)

Guidance literature:

aus dem Hydroxydien (34), m-Chlorperbenzoesaeure, Dinatriumhydrogenphosphat;

Reference yield:

C17H24O5 (2269-39-8,123301-15-5) → C17H24O4 (4682-50-2,33722-76-8,52193-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / methanesulfonyl chloride / dimethylformamide / 70 °C

2: tri-n-butyltin hydride, benzoyl peroxide

With Perbenzoic acid; tri-n-butyl-tin hydride; methanesulfonyl chloride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)74548-5

upstream raw materials:

C₁₇H₂₃ClO₄

C₁₇H₂₄O₅

C₂₁H₃₆O₄Si

verrucarol

Downstream raw materials:

trichodermol

Refernces