N-methylaniline 2,2,2-trifluoroacetate

Base Information

• Chemical Name: N-methylaniline 2,2,2-trifluoroacetate
• CAS No.: 29885-95-8
• Molecular Formula: C9H10F3NO2
• Molecular Weight: 221.179
• Hs Code.: 2923900090
• Mol file: 29885-95-8.mol

Synonyms:N-methylaniline 2,2,2-trifluoroacetate;Benzenamine, N-methyl-, trifluoroacetate;MFCD00043278;N-methyl-aniline trifluoroacetate;N-?Methylaniline Trifluoroacetate;AKOS023552904;N-Methylaniline trifluoroacetate, 99%;SY061694;N-methylaniline;2,2,2-trifluoroacetic acid;CS-0197126

Chemical Property of N-methylaniline 2,2,2-trifluoroacetate

Chemical Property:

• Appearance/Colour: WHITE TO VERY SLIGHTLY GREYISH CRYSTALLINE NEEDLES
• Vapor Pressure: 0.402mmHg at 25°C
• Melting Point: 65-66 °C(lit.)
• Boiling Point: 196.2°Cat760mmHg
• Flash Point: 78.9°C
• PSA: 49.33000
• Density: g/cm³
• LogP: 2.43460
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 221.06636305
• Heavy Atom Count: 15
• Complexity: 139

Purity/Quality:

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

N-Methylaniline trifluoroacetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC1=CC=CC=C1.C(=O)(C(F)(F)F)O
• Uses: N-?Methylaniline Trifluoroacetate is regent used in organic synthesis, functioning as an α-methylating agent for ketones and activates internucleodecoupling upon removal.

Technology Process of N-methylaniline 2,2,2-trifluoroacetate

There total 1 articles about N-methylaniline 2,2,2-trifluoroacetate 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: 96.0%

N-methylaniline (100-61-8) + trifluoroacetic acid (76-05-1) → N-methylanilinium trifluoroacetate (29885-95-8)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1039/b924577d

Reference yield: 80.0%

N-methylanilinium trifluoroacetate (29885-95-8) + 16-(hydroxymethylene)-3-methoxyestra-1,3,5(10)-trien-17-one (59877-96-2) → 3-methoxy-16-(N-methyl-N-phenylaminomethylidene)-estra-1,3,5(10)-triene-17-one (669056-31-9)

Guidance literature:

In benzene; Heating;

DOI:10.1016/S0039-128X(03)00145-4

Reference yield: 77.0%

N-methylanilinium trifluoroacetate (29885-95-8) + 16-hydroxymethylene-3-benzyloxyestra-1,3,5(10)-trien-17-one (80108-51-6) → 3-benzyloxy-16-(N-methyl-N-phenylaminomethylidene)-estra-1,3,5(10)-triene-17-one (669056-39-7)

Guidance literature:

In benzene; Heating;

DOI:10.1016/S0039-128X(03)00145-4

upstream raw materials:

N-methylaniline

trifluoroacetic acid

Downstream raw materials:

3-methoxy-16-(N-methyl-N-phenylaminomethylidene)-estra-1,3,5⁽¹⁰⁾-triene-17-one

3-benzyloxy-16-(N-methyl-N-phenylaminomethylidene)-estra-1,3,5⁽¹⁰⁾-triene-17-one

1-Cyclopropyl-2-propen-1-one

Refernces

• 1、 Bugarin, Alejandro,Jones, Kyle D.,Connell, Brian T.. "Efficient, direct α-methylenation of carbonyls mediated by diisopropylammonium trifluoroacetate". supporting information; experimental part. p. 1715 - 1717. Retrieved 2010/07/06.
• 2、 Gras, Jean-Louis. "Methylene ketones and aldehydes by simple, direct methylene transfer: 2-Methylene-1-oxo-1,2,3,4-tetrahydronaphthalene". . p. 88 - 88. Retrieved 2017/05/17.