3,4-O-Isopropylidene Clindamycin

Base Information

• Chemical Name: 3,4-O-Isopropylidene Clindamycin
• CAS No.: 147650-54-2
• Molecular Formula: C₂₁H₃₇ClN₂O₅S
• Molecular Weight: 465.054
• European Community (EC) Number: 604-595-3
• Mol file: 147650-54-2.mol

Synonyms:3,4-O-Isopropylidene Clindamycin;147650-54-2

Chemical Property of 3,4-O-Isopropylidene Clindamycin

Chemical Property:

• Melting Point: 145-147.5 °C
• Boiling Point: 630.9±55.0 °C(Predicted)
• PKA: 12.66±0.70(Predicted)
• Density: 1.24±0.1 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 464.2111712
• Heavy Atom Count: 30
• Complexity: 612

Purity/Quality:

99.9% ^*data from raw suppliers

3,4-O-Isopropylidene Clindamycin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C3C(C(C(O2)SC)O)OC(O3)(C)C)C(C)Cl
• Uses: Clindamycin (C580000) derivative. Used in the preparation of Clindamycin impurities. 3,4-O-Isopropylidene ClindaMycin is used in the preparation of Clindamycin impurities.

Technology Process of 3,4-O-Isopropylidene Clindamycin

There total 4 articles about 3,4-O-Isopropylidene Clindamycin 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:

clindamycin (16684-06-3,18323-44-9,51064-35-8) + orthoformic acid triethyl ester (122-51-0) → C21H37ClN2O5S (147650-54-2)

Guidance literature:

With toluene-4-sulfonic acid; In acetone; at 35 ℃; for 6h; Temperature; Reagent/catalyst; Large scale;

Reference yield:

clindamycin hydrochloride (17431-55-9) + 2,2-dimethoxy-propane (77-76-9) → 3,4-o-isopropylideneclindamycin (147650-54-2)

Guidance literature:

clindamycin hydrochloride; 2,2-dimethoxy-propane; With pyridine; at 60 - 110 ℃; for 10h;

In acetone; at 70 ℃; for 0.383333h;

With sodium hydroxide; In water; Temperature;

Reference yield:

acetone (67-64-1) + clindamycin hydrochloride (21462-39-5,17431-55-9) → C21H37ClN2O5S (147650-54-2)

Guidance literature:

With iodine; at 20 ℃; Inert atmosphere;

upstream raw materials:

acetone

clindamycin hydrochloride

lincomycin hydrochloride

clindamycin

Refernces

• 1、 -. "A clindamycin phosphate ester synthesis method". . . Retrieved 2017/02/28.