25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a

Base Information

• Chemical Name: 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a
• CAS No.: 142680-85-1
• Molecular Weight: 901.14
• European Community (EC) Number: 604-305-5
• DSSTox Substance ID: DTXSID301140642
• Mol file: 142680-85-1.mol

Synonyms:DTXSID301140642;25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a

Chemical Property of 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a

Chemical Property:

• Vapor Pressure: 24Pa at 20℃
• Density: 1.103[at 20℃]
• Water Solubility.: 950μg/L at 20℃
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 900.52350709
• Heavy Atom Count: 64
• Complexity: 1740

Purity/Quality:

99.9% ^*data from raw suppliers

22,23-Dihydro-25-cyclohexylavermectinB1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C8CCCCC8
• Isomeric SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C8CCCCC8
• Uses: 22,23-Dihydro-25-cyclohexylavermectin B1 is an intermediate in synthesizing 4''-O-2,6-Dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl Selamectin (D440100), which s an impurity of Selamectin (S247990), a topical parasiticide. Selamectin (S247990) is also used as a veterinary antihelminithic agent on animals.

Technology Process of 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a

There total 2 articles about 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydroavermectin A1a 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:

doramectin (117704-25-3) → doramectin (142680-85-1)

Guidance literature:

With Wilkinson's catalyst; hydrogen; In toluene; at 50 ℃; Inert atmosphere; Industrial scale;

Reference yield:

C50H74O14 → C50H76O14 (142680-85-1)

Guidance literature:

With Wilkinson's catalyst; hydrogen; In acetone; at 35 - 40 ℃; under 2250.23 - 3000.3 Torr; Temperature; Inert atmosphere; Large scale;

Reference yield:

doramectin (142680-85-1) → C50H72O14

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Industrial scale;

upstream raw materials:

doramectin

Downstream raw materials:

[3H]-Selamectin

C₄₃H₆₃NO₁₁

Refernces

• 1、 -. "Preparation method of high-purity celecampin". Paragraph 0046-0050; 0066-0069; 0097; 0098-0101. . Retrieved 2019/07/25.
• 2、 -. "NEW SYNTHESIS PROCESS OF ANTIPARASITIC DRUG SELAMECTIN". Paragraph 0032; 0033. . Retrieved 2015/02/25.