N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine

Base Information

• Chemical Name: N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine
• CAS No.: 936446-61-6
• Molecular Formula: C₂₄H₂₆N₄O₃
• Molecular Weight: 418.495
• UNII: O898S9836V
• NCI Thesaurus Code: C187045
• Wikidata: Q27285472
• Mol file: 936446-61-6.mol

Synonyms:NRC-2694;936446-61-6;N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine;N-(3-Ethynylphenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine;O898S9836V;4-Quinazolinamine, N-(3-ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-;N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;UNII-O898S9836V;N-(3-ethynylphenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine;WBKHQQZRHCECKK-UHFFFAOYSA-N;SCHEMBL828788;BCP30237;AKOS040742312;NRC 2694;NRC2694;CS-6754;AC-36681;HY-19909;MS-27321;G15936;Q27285472

Chemical Property of N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 418.20049070
• Heavy Atom Count: 31
• Complexity: 591

Purity/Quality:

99% ^*data from raw suppliers

NRC-2694 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCN4CCOCC4

Technology Process of N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine

There total 4 articles about N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine 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: 84.0%

→ NRC-2694 (936446-61-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

Reference yield: 74.6%

4-(3-chloropropyl)morpholine (7357-67-7) + 4-[(3-acetylenephenyl)amino]-7-methoxyquinazolin-6-ol (905306-05-0) → NRC-2694 (936446-61-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 - 85 ℃; for 3h;

Reference yield:

3-acetylenephenylamine (54060-30-9) + 4-chloro-7-methoxy-6-(3-morpholinopropoxy)quinazoline (199327-59-8) → NRC-2694 (936446-61-6)

Guidance literature:

3-acetylenephenylamine; 4-chloro-7-methoxy-6-(3-morpholinopropoxy)quinazoline; In acetonitrile; at 65 ℃;

With water; sodium hydroxide; pH=10 - 12;

upstream raw materials:

3-acetylenephenylamine

4-chloro-7-methoxy-6-(3-morpholinopropoxy)quinazoline

7-methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one

4-(3-chloropropyl)morpholine

Downstream raw materials:

NRC-2694 A

Refernces

• 1、 -. "Quinazoline derivative and application thereof". Paragraph 0015; 0017. . Retrieved 2017/08/28.
• 2、 -. "6.7-DIALKOXY OUINAZOLINE DERIVATIVES USEFUL FOR TREATMENT OF CANCER RELATED DISORDERS". Page/Page column 6-7. . Retrieved 2009/08/16.