AST-1306

Base Information

• Chemical Name: AST-1306
• CAS No.: 1050500-29-2
• Molecular Formula: C24H18ClFN4O2.C7H8O3S
• Molecular Weight: 621.08
• Mol file: 1050500-29-2.mol

Synonyms:AST-6;N-[4-[[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-propenamide 4-methylbenzenesulfonate;AST 1306 (p-Toluenesulfonic acid);AST-1306 (p-Toluenesulfonic acid);AST1306 (p-Toluenesulfonic acid);AST-1306 (TsOH);2-Propenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:1)

Chemical Property of AST-1306

Chemical Property:

• PSA: 142.38000
• LogP: 8.91440
• Solubility.: Soluble in DMSO

Purity/Quality:

98% min ^*data from raw suppliers

AST-1306 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AST-1306

There total 5 articles about AST-1306 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: 95.0%

N-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)acrylamide (897383-62-9) + toluene-4-sulfonic acid (104-15-4) → N-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}acrylamide p-toluenesulfonate salt (1050500-29-2)

Guidance literature:

In tetrahydrofuran; methanol; water; Product distribution / selectivity;

Reference yield:

4-chloro-6-nitro-quinazoline (19815-16-8) → N-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}acrylamide p-toluenesulfonate salt (1050500-29-2)

Guidance literature:

Multi-step reaction with 4 steps

1: isopropyl alcohol / 3 h / Reflux

2: iron; acetic acid / methanol / 2.5 h / 85 °C

3: triethylamine / tetrahydrofuran / 3 h / 20 °C / Cooling with ice

4: tetrahydrofuran; methanol; water

With iron; acetic acid; triethylamine; In tetrahydrofuran; methanol; water; isopropyl alcohol;

Reference yield:

3-chloro-4-(3-fluorobenzyloxy)aniline (202197-26-0) → N-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}acrylamide p-toluenesulfonate salt (1050500-29-2)

Guidance literature:

Multi-step reaction with 4 steps

1: isopropyl alcohol / 3 h / Reflux

2: iron; acetic acid / methanol / 2.5 h / 85 °C

3: triethylamine / tetrahydrofuran / 3 h / 20 °C / Cooling with ice

4: tetrahydrofuran; methanol; water

With iron; acetic acid; triethylamine; In tetrahydrofuran; methanol; water; isopropyl alcohol;

upstream raw materials:

N-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)acrylamide

toluene-4-sulfonic acid

4-chloro-6-nitro-quinazoline

3-chloro-4-(3-fluorobenzyloxy)aniline

Refernces

• 1、 -. "SALTS OF 4-ANILINE QUINAZOLINE DERIVATIVE". Page/Page column 5. . Retrieved 2010/07/08.