(R)-Xanthoanthrafil

Base Information

• Chemical Name: (R)-Xanthoanthrafil
• CAS No.: 247568-68-9
• Molecular Formula: C19H23N3O6
• Molecular Weight: 389.408
• UNII: IAU22ZHP0V
• DSSTox Substance ID: DTXSID50179477
• Nikkaji Number: J1.639.624I
• Wikidata: Q27280640
• Mol file: 247568-68-9.mol

Synonyms:(R)-xanthoanthrafil;N-(3,4-dimethoxybenzyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide

Chemical Property of (R)-Xanthoanthrafil

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 126-128°C
• Boiling Point: 612.1±55.0 °C(Predicted)
• PKA: 13.06±0.46(Predicted)
• Density: 1.295±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Water (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 389.15868546
• Heavy Atom Count: 28
• Complexity: 514

Purity/Quality:

99%, ^*data from raw suppliers

(R)-Xanthoanthrafil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC
• Isomeric SMILES: C[C@H](CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC
• Uses: (R)-Xanthoanthrafil is a Phosphodiesterase-5 (PDE-5) inhibitor, found in supplements aimed to enhance male sexual function. Also, is used to treat pulmonary diseases and B-cell proliferative disorders.

Technology Process of (R)-Xanthoanthrafil

There total 1 articles about (R)-Xanthoanthrafil 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:

→ (R)-N-(3,4-dimethoxybenzyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide (247568-68-9)

Guidance literature:

Reference yield:

(R)-N-(3,4-dimethoxybenzyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide (247568-68-9) + acetyl chloride (75-36-5) → (R)-2-(2-acetoxy-1-methylethylamino)-N-(3,4-dimethoxybenzyl)-5-nitrobenzamide (247568-69-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane;

Reference yield:

2,6-di-tert-butyl-4-methylpyridine (38222-83-2) + (R)-N-(3,4-dimethoxybenzyl)-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide (247568-68-9) + trimethoxonium tetrafluoroborate (420-37-1) → (R)-N-(3,4-dimethoxybenzyl)-2-(2-methoxy-1-methylethylamino)-5-nitrobenzamide (247567-42-6)

Guidance literature:

In 1,2-dichloro-ethane;

Downstream raw materials:

(R)-N-(3,4-dimethoxybenzyl)-2-(2-methoxy-1-methylethylamino)-5-nitrobenzamide

(R)-2-(2-acetoxy-1-methylethylamino)-N-(3,4-dimethoxybenzyl)-5-nitrobenzamide

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