Arborine

Base Information

• Chemical Name: Arborine
• CAS No.: 6873-15-0
• Molecular Formula: C16H14 N2 O
• Molecular Weight: 250.3
• NSC Number: 127745
• UNII: D5JUH3HNWF
• DSSTox Substance ID: DTXSID10218856
• Nikkaji Number: J8.854D
• Wikidata: Q27105821
• Metabolomics Workbench ID: 44344
• ChEMBL ID: CHEMBL448122
• Mol file: 6873-15-0.mol

Synonyms:arborine;glycosine

Chemical Property of Arborine

Chemical Property:

• Vapor Pressure: 2.69E-07mmHg at 25°C
• Melting Point: 155-156°
• Refractive Index: 1.6240 (estimate)
• Boiling Point: 421°C at 760 mmHg
• PKA: 5.44±0.20(Predicted)
• Flash Point: 208.4°C
• PSA: 34.89000
• Density: 1.15g/cm³
• LogP: 2.52430
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 371

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyl-1-methylquinazolin-4(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3

Technology Process of Arborine

There total 7 articles about Arborine 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: 43.0%

N-methyl-N-phenylacetyl-anthranilic acid amide (21411-08-5) → arborine (6873-15-0)

Guidance literature:

With phosphorus pentoxide; In xylene; for 4h; Heating;

DOI:10.1055/s-1981-29667

Reference yield:

phenylacetic acid (103-82-2) + 2-methylaminobenzamide (7505-81-9) → arborine (6873-15-0)

Guidance literature:

With phosphorus pentoxide; xylene;

DOI:10.1021/ja01113a059

Reference yield:

2-Benzyl-1-methyl-1H-quinazoline-4-thione (85690-46-6) → arborine (6873-15-0)

Guidance literature:

With water; silica gel; nickel; Yield given. Multistep reaction; 1.) ethanol, reflux;

upstream raw materials:

phenylacetic acid

2-methylaminobenzamide

N-methyl-N-phenylacetyl-anthranilic acid amide

2-Benzyl-1-methyl-1H-quinazoline-4-thione