2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline

Base Information

• Chemical Name: 2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline
• CAS No.: 238098-26-5
• Molecular Formula: C10H8F7N
• Molecular Weight: 275.169
• Hs Code.: 2921430090
• European Community (EC) Number: 487-120-0,639-964-8
• DSSTox Substance ID: DTXSID40432922
• Nikkaji Number: J1.802.423C
• Wikidata: Q72491110
• Mol file: 238098-26-5.mol

Synonyms:238098-26-5;2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline;4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline;2-methyl-4-heptafluoroisopropylaniline;C10H8F7N;MFCD13185889;2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline;2-methyl-4-(perfluoropropan-2-yl)benzenamine;Benzenamine, 2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-;2-methyl-4-(heptafluoropropan-2-yl)-aniline;2-methyl-4-(perfluoropropan-2-yl)aniline;2-Methyl-4-(perfluoro-2-propyl)aniline;AMY305;SCHEMBL2718835;DTXSID40432922;BCP14622;2-METHYL-P-(1,2,2,2-TETRAFLUORO-1-TRIFLUOROMETHYLETHYL)PHENYLAMINE;AKOS005762850;DS-4267;2-Methyl-4-(heptafluoroisopropyl)aniline;4-(Heptafluoroisopropyl)-2-methylaniline;SY106228;4-(heptafluoro-2-propyl)-2-methylaniline;CS-0035943;FT-0747797;EC 487-120-0;EN300-1180021;A846615;4-(HEPTAFLUOROPROPAN-2-YL)-2-METHYLANILINE;2-methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)anilin;2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)aniline;2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)phenylamine;2-methyl-4-[1,2,2,2-tetrafluor-1-(trifluoromethyl)ethyl]aniline;2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoro-methyl)ethyl]aniline;2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-aniline;2-methyl-4- pound 1,1,1,2,3,3,3-heptafluoro-2-propyl pound(c)aniline;2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenyl-amine;2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenylamine

Chemical Property of 2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline

Chemical Property:

• Vapor Pressure: 0.335mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 199.838 °C at 760 mmHg
• PKA: 2.52±0.10(Predicted)
• Flash Point: 83.354 °C
• PSA: 26.02000
• Density: 1.401 g/cm³
• LogP: 4.44780
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 275.05449639
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

98% ^*data from raw suppliers

2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)N
• Uses: 2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline is a useful research chemical.

Technology Process of 2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)aniline

There total 11 articles about 2-Methyl-4-(1,1,1,2,3,3,3-heptafluoro-2-propyl)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: 98.2%

heptafluoroisopropylchloromethyl tert-butyl ether + o-toluidine (95-53-4) → 2-methyl-4-(heptafluoropropan-2-yl)-aniline (238098-26-5)

Guidance literature:

With 1-methyl-4-nitrobenzene; tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate; In tert-butyl methyl ether; water; at 0 ℃;

Reference yield: 98.1%

heptafluoroisopropylbromomethyl tert-butyl ether + o-toluidine (95-53-4) → 2-methyl-4-(heptafluoropropan-2-yl)-aniline (238098-26-5)

Guidance literature:

With 1-methyl-4-nitrobenzene; sodium dithionite; tetra(n-butyl)ammonium hydrogensulfate; sodium carbonate; In tert-butyl methyl ether; water; at 0 ℃; Reagent/catalyst;

Reference yield: 97.0%

perfluoroisopropyl iodide (677-69-0) + o-toluidine (95-53-4) → 2-methyl-4-(heptafluoropropan-2-yl)-aniline (238098-26-5)

Guidance literature:

With sodium dithionite; sodium carbonate; tetrabutylammonium sulfate; In tert-butyl methyl ether; water; at 50 ℃; for 4h;

upstream raw materials:

2-bromo-1,1,1,2,3,3,3-heptafluoropropane

o-toluidine

perfluoroisopropyl iodide

heptafluoroisopropyl-3-methyl-4-nitrobenzene

Refernces

• 1、 Fang, Yue-Ming,Zhang, Rui-Rui,Shen, Zhong-Hua,Wu, Hong-Ke,Tan, Cheng-Xia,Weng, Jian-Quan,Xu, Tian-Ming,Liu, Xing-Hai. "Synthesis, Antifungal Activity, and SAR Study of Some New 6-Perfluoropropanyl Quinoline Derivatives". . p. 240 - 245. Retrieved 2018.
• 2、 -. "Heptafluoroisopropyl-containing quinoline ethers compound, preparation method and application thereof". Paragraph 0075; 0079-0080. . Retrieved 2019/06/07.