Damascenine

Base Information

• Chemical Name: Damascenine
• CAS No.: 483-64-7
• Deprecated CAS: 8022-10-4
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2922509090
• UNII: 2TU4DLG5R3
• DSSTox Substance ID: DTXSID60197480
• Nikkaji Number: J5.989G
• Wikipedia: Damascenine
• Wikidata: Q1158234
• Metabolomics Workbench ID: 67675
• Mol file: 483-64-7.mol

Synonyms:damascenine;damascenine hydrochloride;nigelline

Chemical Property of Damascenine

Chemical Property:

• Vapor Pressure: 0.00702mmHg at 25°C
• Melting Point: 27-29°
• Refractive Index: 1.5150 (estimate)
• Boiling Point: 270°Cat760mmHg
• PKA: 2.75±0.10(Predicted)
• Flash Point: 122.8°C
• PSA: 47.56000
• Density: 1.143g/cm³
• LogP: 1.59650
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99%min ^*data from raw suppliers

Methyl3-methoxy-2-(methylamino)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=CC=C1OC)C(=O)OC

Technology Process of Damascenine

There total 6 articles about Damascenine 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:

methanol (67-56-1) → methyl 3-methoxy-2-(methylamino)benzoate (483-64-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

methanol (67-56-1) → methyl 3-methoxy-2-(methylamino)benzoate (483-64-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

methyl iodide (74-88-4) → methyl 3-methoxy-2-(methylamino)benzoate (483-64-7)

Guidance literature:

im geschlossenen Rohr;

upstream raw materials:

methyl iodide

methanol

diazomethane

3-hydroxyanthranilic acid

Downstream raw materials:

2-methoxy-N-methylaniline

Refernces