Verubulin

Base Information

• Chemical Name: Verubulin
• CAS No.: 827031-83-4
• Molecular Formula: C₁₇H₁₇N₃O
• Molecular Weight: 279.341
• Hs Code.: 2933990090
• UNII: X97O9FTB92
• ChEMBL ID: CHEMBL492399
• Metabolomics Workbench ID: 149520
• NCI Thesaurus Code: C96747
• Nikkaji Number: J2.852.199E
• Pharos Ligand ID: F7SU6GL86LW9
• Wikidata: Q27293718
• Mol file: 827031-83-4.mol

Synonyms:MPC-6827;MPC6827;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;verubulin;verubulin hydrochloride

Chemical Property of Verubulin

Chemical Property:

• Melting Point: 86-90℃
• PSA: 38.25000
• Density: 1.189
• LogP: 3.71470
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.137162174
• Heavy Atom Count: 21
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Methoxyphenyl)-N,2-dimethylquinazolin-4-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC
• Recent ClinicalTrials: Verubulin, Radiation Therapy, and Temozolomide to Treat Patients With Newly Diagnosed Glioblastoma Multiforme

Technology Process of Verubulin

There total 7 articles about Verubulin 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: 99.0%

(2-methylquinazolin-4-yl)-4-methylbenzenesulfonate (1363721-18-9) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1) → N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine (827031-83-4)

Guidance literature:

In dichloromethane; isopropyl alcohol; at 20 ℃; for 1h;

DOI:10.1080/00397911.2010.529730

Reference yield: 90.0%

2-methyl-4-chloroquinazoline (6484-24-8) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1) → N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine (827031-83-4)

Guidance literature:

With quinazoline; In tetrahydrofuran; water; at 100 ℃; for 0.166667h; Microwave irradiation;

DOI:10.3762/bjoc.17.206

Reference yield: 71.0%

N'-(2-cyanophenyl)-N,N-dimethylacetamidine (102669-53-4) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1) → N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine (827031-83-4)

Guidance literature:

With aluminum (III) chloride; In 1-methyl-pyrrolidin-2-one; at 200 ℃; for 2h; Microwave irradiation;

DOI:10.1016/j.tet.2010.04.066

upstream raw materials:

N-(4-methoxyphenyl)-2-methylquinazolin-4-amine

methyl iodide

N'-(2-cyanophenyl)-N,N-dimethylacetamidine

N-methyl-N-(4-methoxyphenyl)amine

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