3-(1,1-difluoroethyl)aniline

Base Information

• Chemical Name: 3-(1,1-difluoroethyl)aniline
• CAS No.: 40788-05-4
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.163
• Hs Code.: 2921490090
• Mol file: 40788-05-4.mol

Synonyms:3-(1,1-difluoroethyl)aniline;3-(1,1-difluoroethyl)- Benzenamine

Chemical Property of 3-(1,1-difluoroethyl)aniline

Chemical Property:

• PSA: 26.02000
• LogP: 2.96170

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(1,1-Difluoroethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(1,1-difluoroethyl)aniline

There total 2 articles about 3-(1,1-difluoroethyl)aniline 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%

1-(1,1-difluoroethyl)-3-nitro-benzene (40788-04-3) → 3-(1,1-difluoroethyl)aniline (40788-05-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 3h;

Reference yield: 80.0%

3-Nitroacetophenone (121-89-1) → 3-(1,1-difluoroethyl)aniline (40788-05-4)

Guidance literature:

3-Nitroacetophenone; With diethylamino-sulfur trifluoride; In dichloromethane; for 48h; Reflux;

With iron; ammonium chloride; In ethanol; water; at 20 ℃; for 18h;

DOI:10.1021/acs.jmedchem.1c00700

Reference yield: 90.0%

3-(1,1-difluoroethyl)aniline (40788-05-4) + N,N-bis(chloro-2-ethyl)amine (334-22-5) → 1-[3-(1,1-difluoroethyl)phenyl]piperazine hydrochloride (1000044-18-7)

Guidance literature:

In chlorobenzene; Heating / reflux;

upstream raw materials:

1-(1,1-difluoroethyl)-3-nitro-benzene

3-Nitroacetophenone

Downstream raw materials:

1-[3-(1,1-difluoroethyl)phenyl]piperazine hydrochloride

Refernces

• 1、 Arencibia, Jose M.,Brindani, Nicoletta,Franco-Ulloa, Sebastian,Nigro, Michela,Kuriappan, Jissy Akkarapattiakal,Ottonello, Giuliana,Bertozzi, Sine Mandrup,Summa, Maria,Girotto, Stefania,Bertorelli, Rosalia,Armirotti, Andrea,De Vivo, Marco. "Design, Synthesis, Dynamic Docking, Biochemical Characterization, and in Vivo Pharmacokinetics Studies of Novel Topoisomerase II Poisons with Promising Antiproliferative Activity". . p. 3508 - 3521. Retrieved 2020/04/30.
• 2、 -. "CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS". Page/Page column 94. . Retrieved 2014/01/17.