9,10-Anhydrodaunorubicin

Base Information

• Chemical Name: 9,10-Anhydrodaunorubicin
• CAS No.: 69804-36-0
• Molecular Formula: C₂₇H₂₇NO₉
• Molecular Weight: 509.513
• DSSTox Substance ID: DTXSID40990072
• Wikidata: Q82979417
• Mol file: 69804-36-0.mol

Synonyms:9,10-anhydrodaunorubicin;9,10-anhydrodaunorubicin hydrochloride

Chemical Property of 9,10-Anhydrodaunorubicin

Chemical Property:

• Vapor Pressure: 4.21E-24mmHg at 25°C
• Boiling Point: 757.3°C at 760 mmHg
• Flash Point: 411.8°C
• Density: 1.52g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 509.16858144
• Heavy Atom Count: 37
• Complexity: 968

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(=CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C)N)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC(=CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C)N)O

Technology Process of 9,10-Anhydrodaunorubicin

There total 1 articles about 9,10-Anhydrodaunorubicin 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: 82.0%

9,10-anhydro-N-(trifluoromethyl)daunorubicin (68168-17-2) → 9,10-anhydrodaunorubicin (69804-36-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 0 ℃; for 4h;

DOI:10.1021/jm00346a027

upstream raw materials:

9,10-anhydro-N-(trifluoromethyl)daunorubicin

Refernces