(5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO

Base Information

• Chemical Name: (5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO
• CAS No.: 869365-97-9
• Molecular Formula: C13H6ClF2IO
• Molecular Weight: 378.544
• Hs Code.: 2914700090
• Mol file: 869365-97-9.mol

Synonyms:(5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone;

Chemical Property of (5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.621
• Boiling Point: 433.54 °C at 760 mmHg
• Flash Point: 215.998 °C
• PSA: 17.07000
• Density: 1.803 g/cm³
• LogP: 4.45380
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

(5-Chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO

There total 4 articles about (5-CHLORO-2-IODOPHENYL) 2,6-DIFLUOROPHENYL METHANO 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: 90.0%

(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone (28910-83-0) → (5-chloro-2-iodophenyl)(2,6-difluorophenyl)methanone (869365-97-9)

Guidance literature:

(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone; With hydrogenchloride; acetic acid; sodium nitrite; In water; ethyl acetate; at 0 - 5 ℃; for 0.833333h;

With iodine; potassium iodide; In water; ethyl acetate; at 20 ℃; for 1h;

Reference yield:

tert-butyl (4-chloro-2-(2,6-difluorobenzoyl)phenyl)carbamate (869365-92-4) → (5-chloro-2-iodophenyl)(2,6-difluorophenyl)methanone (869365-97-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C / Inert atmosphere

2.1: hydrogenchloride; acetic acid; sodium nitrite / water / 0 - 5 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

With hydrogenchloride; acetic acid; trifluoroacetic acid; sodium nitrite; In dichloromethane; water;

DOI:10.1002/anie.201200994

Reference yield:

N-(t-butoxycarbonyl)-4-chloroaniline (18437-66-6) → (5-chloro-2-iodophenyl)(2,6-difluorophenyl)methanone (869365-97-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tert.-butyl lithium / tetrahydrofuran; pentane / 3.33 h / -78 - -30 °C / Inert atmosphere

1.2: 0.83 h / -78 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C / Inert atmosphere

3.1: hydrogenchloride; acetic acid; sodium nitrite / water / 0 - 5 °C / Inert atmosphere

3.2: 0 - 20 °C / Inert atmosphere

With hydrogenchloride; tert.-butyl lithium; acetic acid; trifluoroacetic acid; sodium nitrite; In tetrahydrofuran; dichloromethane; water; pentane;

DOI:10.1002/anie.201200994

upstream raw materials:

(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone

tert-butyl (4-chloro-2-(2,6-difluorobenzoyl)phenyl)carbamate

N-(t-butoxycarbonyl)-4-chloroaniline

2,6-difluorobenzoylchloride

Downstream raw materials:

4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid

8-chloro-1-(2,6-difluorophenyl)-3,4-dihydrobenzo[c]azepin-5-one

tert-butyl (1-(2-(4-((9-chloro-7-(2,6-difluorophenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)benzamido)ethyl)piperidin-4-yl)carbamate

N-(2-(4-aminopiperidin-1-yl)ethyl)-4-((9-chloro-7-(2,6-difluorophenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)benzamide

Refernces

• 1、 Sells, Todd B.,Chau, Ryan,Ecsedy, Jeffrey A.,Gershman, Rachel E.,Hoar, Kara,Huck, Jessica,Janowick, David A.,Kadambi, Vivek J.,Leroy, Patrick J.,Stirling, Matthew,Stroud, Stephen G.,Vos, Tricia J.,Weatherhead, Gabriel S.,Wysong, Deborah R.,Zhang, Mengkun,Balani, Suresh K.,Bolen, Joseph B.,Manfredi, Mark G.,Claiborne, Christopher F.. "MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors". supporting information. p. 630 - 634. Retrieved 2015/06/30.
• 2、 -. "CRYSTALLINE FORMS OF SODIUM 4-{[9-CHLORO-7-(2-FLUORO-6--METHOXYPHENYL)-5H -PYRIMIDO[5,4-D][2]BENZAZEPIN-2YL]AMINO}-2-METHOXYBENZOATE". Page/Page column 39-40. . Retrieved 2011/09/19.