PF-4989216

Base Information

• Chemical Name: PF-4989216
• CAS No.: 1276553-09-3
• Molecular Formula: C18H13FN6OS
• Molecular Weight: 380.4
• Mol file: 1276553-09-3.mol

Synonyms:PF-4989216;4-(4-Cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile

Chemical Property of PF-4989216

Chemical Property:

• PSA: 129.86000
• LogP: 2.98426
• Solubility.: Soluble in DMSO

Purity/Quality:

99%, ^*data from raw suppliers

PF-4989216 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PF-4989216

There total 9 articles about PF-4989216 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: 86.0%

(Z)-4-cyano-3-(4-cyano-2-fluorophenyl)-N-((dimethylamino)methylene)-5-morpholinothiophene-2-carboxamide → 4-(4-cyano-2-fluorophenyl)-2-morpholino-5-((1H)-1,2,4-triazol-5-yl)thiophene-3-carbonitrile (1276553-09-3)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; at 0 - 60 ℃;

DOI:10.1021/op100286g

Reference yield:

4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholinothiophene-2-carboxamide (1276553-12-8) → 4-(4-cyano-2-fluorophenyl)-2-morpholino-5-((1H)-1,2,4-triazol-5-yl)thiophene-3-carbonitrile (1276553-09-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.5 h / Reflux

2: hydrazine hydrate; acetic acid / ethanol / 0 - 60 °C

With hydrazine hydrate; acetic acid; In ethanol;

DOI:10.1021/op100286g

Reference yield:

3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylic acid ethyl ester (116170-90-2) → 4-(4-cyano-2-fluorophenyl)-2-morpholino-5-((1H)-1,2,4-triazol-5-yl)thiophene-3-carbonitrile (1276553-09-3)

Guidance literature:

Multi-step reaction with 8 steps

1.1: diiodomethane / acetonitrile / 70 °C

1.2: 0 - 70 °C / Large scale reaction

2.1: oxone / methanol / 25 °C / Large scale reaction

3.1: tetrahydrofuran / 0 - 25 °C

4.1: bis(tri-t-butylphosphine)palladium⁽⁰⁾; cesium fluoride / 1,4-dioxane; water; toluene / 2 h / 85 °C / Inert atmosphere

5.1: water; sodium hydroxide / 2-methyltetrahydrofuran; ethanol / 0.5 h / 55 °C

6.1: 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine / N,N-dimethyl-formamide / 1 h / 25 °C

6.2: 35 °C

7.1: 1.5 h / Reflux

8.1: hydrazine hydrate; acetic acid / ethanol / 0 - 60 °C

With 4-methyl-morpholine; bis(tri-t-butylphosphine)palladium⁽⁰⁾; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; hydrazine hydrate; diiodomethane; oxone; water; acetic acid; cesium fluoride; sodium hydroxide; In tetrahydrofuran; 2-methyltetrahydrofuran; 1,4-dioxane; methanol; ethanol; water; N,N-dimethyl-formamide; toluene; acetonitrile; 4.1: Suzuki coupling;

DOI:10.1021/op100286g

upstream raw materials:

4-cyano-3-iodo-5-(morpholin-4-yl)thiophene-2-carboxylic acid ethyl ester

4-cyano-3-iodo-5-[methylsulfinyl]thiophene-2-carboxylic acid ethyl ester

4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholinothiophene-2-carboxylic acid

(4-cyano-2-fluorophenyl)boronic acid

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