4a-Hydroxyavermectin B1

Base Information

Chemical Name:4a-Hydroxyavermectin B1
CAS No.:86629-72-3
Molecular Formula:C₄₈H₇₂O₁₅
Molecular Weight:889.091
Hs Code.:
Mol file:86629-72-3.mol

Synonyms:4a-Hydroxyavermectin B1;BRN 5473169;5-O-Demethyl-26-hydroxyavermectin A1a;Avermectin A1a, 5-O-demethyl-26-hydroxy-;86629-72-3;C48H72O15;LS-22270

Suppliers and Price of 4a-Hydroxyavermectin B1

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
4A-HYDROXYAVERMECTIN B1 95.00%
5MG
$ 496.67

Total 3 raw suppliers

Chemical Property of 4a-Hydroxyavermectin B1

Chemical Property:

Refractive Index:1.5940 (estimate)
Boiling Point:970.9°Cat760mmHg
Flash Point:277.2°C
PSA：190.29000
Density:1.27g/cm³
LogP:4.34980
XLogP3:3.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:888.48712159
Heavy Atom Count:63
Complexity:1740

Purity/Quality:: 4A-HYDROXYAVERMECTIN B1 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)CO)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
Isomeric SMILES:CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)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)CO)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)C

Technology Process of 4a-Hydroxyavermectin B1

There total 1 articles about 4a-Hydroxyavermectin B1 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: 65.0%

: 65195-55-3
avermectin B₁a

: 86629-72-3
4a-hydroxyavermectin B₁

Guidance literature:: With tert.-butylhydroperoxide; selenium(IV) oxide; In dichloromethane; for 14h; Ambient temperature;
DOI:10.1016/S0040-4020(01)89865-3

Reference yield:

: 86629-72-3
4a-hydroxyavermectin B₁

: 112654-84-9
C₇₀H₈₈O₁₈Se

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / NEt₃, 4-dimethylaminopyridine (DMAP) / CH₂Cl₂ / 8 h / Ambient temperature

2: 98 percent / 4-dimethylaminopyridine (DMAP) / pyridine / 3 h / Ambient temperature

3: 80 percent / HF / pyridine; tetrahydrofuran / 2 h / Ambient temperature

4: nBu₃P / CH₂Cl₂ / 2 h / Ambient temperature

With dmap; tributylphosphine; hydrogen fluoride; triethylamine; In tetrahydrofuran; pyridine; dichloromethane;
DOI:10.1016/S0040-4020(01)89865-3

Reference yield:

: 86629-72-3
4a-hydroxyavermectin B₁

: 144367-88-4
4a-O-(tert-Butyldimethylsilyl)-5,4''-di-O-phenoxyacetyl-avermectin B₁a

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / NEt₃, 4-dimethylaminopyridine (DMAP) / CH₂Cl₂ / 8 h / Ambient temperature

2: 98 percent / 4-dimethylaminopyridine (DMAP) / pyridine / 3 h / Ambient temperature

With dmap; triethylamine; In pyridine; dichloromethane;
DOI:10.1016/S0040-4020(01)89865-3