Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-

Base Information

• Chemical Name: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-
• CAS No.: 84412-92-0
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.466

Synonyms:84412-92-0;Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-

Chemical Property of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-

Chemical Property:

• Vapor Pressure: 3.81E-14mmHg at 25°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 378.20423867
• Heavy Atom Count: 27
• Complexity: 699

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)C=C(C)CCO
• Isomeric SMILES: CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)/C=C(/C)\CCO

Technology Process of Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))-

There total 14 articles about Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-hydroxy-3-methyl-2-pentenoate), (beta.,15(Z))- 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: 96.0%

C27H44O6Si (84303-90-2,84303-91-3) → C21H30O6 (4513-00-2,84412-91-9,84412-92-0)

Guidance literature:

With acetic acid; In tetrahydrofuran; water; at 23 ℃; for 4h;

DOI:10.1021/jo00153a035

Reference yield: 91.0%

12,13-Epoxytrichothec-9-ene-4β,15-diol 15-<5'-<(1,1-Dimethylethyl)dimethylsilyloxy>-3'-methyl-2'(E)-pentenoate> (84303-91-3) → 12,13-Epoxytrichothec-9-ene-4β,15-diol 15-(5'-Hydroxy-3'-methyl-2'(Z)-pentenoate) (84412-92-0)

Guidance literature:

With water; acetic acid; In tetrahydrofuran; at 25 ℃;

DOI:10.1021/jo00184a021

Reference yield: 86.0%

C27H44O6Si (84303-90-2,84303-91-3) → C21H30O6 (4513-00-2,84412-91-9,84412-92-0)

Guidance literature:

With acetic acid; In tetrahydrofuran; water;

DOI:10.1021/jo00153a035

upstream raw materials:

12,13-Epoxytrichothec-9-ene-4β,15-diol 15-<5'-<(1,1-Dimethylethyl)dimethylsilyloxy>-3'-methyl-2'(E)-pentenoate>

(E)-4-tert-butyldimethylsilyloxy-1-iodo-2-methyl-1-butene

2,2,2-Trichloroethyl 5-Hydroxy-3-methyl-2(E)-pentenoate

5-((tert-Butyldimethylsilyl)oxy)-3-methyl-2(Z)-pentenoic Acid

Downstream raw materials:

(Z,E,Z)-Verrucarin J Seco Acid

C₂₅H₃₇O₁₀P

Verrucarin J seco acid

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