2-Fluoro-N-methylaniline

Base Information

• Chemical Name: 2-Fluoro-N-methylaniline
• CAS No.: 1978-38-7
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29215900
• European Community (EC) Number: 672-677-6
• DSSTox Substance ID: DTXSID30374600
• Nikkaji Number: J2.329.602K
• Wikidata: Q72474331
• Mol file: 1978-38-7.mol

Synonyms:2-Fluoro-N-methylaniline;1978-38-7;n-methyl-2-fluoroaniline;Benzenamine, 2-fluoro-N-methyl-;n-(2-fluorophenyl)-n-methylamine;MFCD00028030;(2-fluorophenyl)methylamine;2-fluoro-N-methyl-aniline;SCHEMBL307353;(2-fluoro-phenyl)-methyl-amine;DTXSID30374600;LDVAIJZDACHGML-UHFFFAOYSA-N;AKOS000259941;CS-W013511;PS-9201;AC-13791;SY018442;A4334;AM20030278;F0449;FT-0633949;EN300-59274;F11218;N-(2-Fluorophenyl)-N-methylamine, AldrichCPR;Z335276746

Chemical Property of 2-Fluoro-N-methylaniline

Chemical Property:

• Refractive Index: 1.5340-1.5390
• Boiling Point: 180.323 °C at 760 mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 62.857 °C
• PSA: 12.03000
• Density: 1.106 g/cm³
• LogP: 1.94040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%, ^*data from raw suppliers

2-Fluoro-N-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=CC=C1F
• Uses: 2-Fluoro-N-methylaniline is an aniline derivative used in the preparation of various pharmaceutical compounds such as muscarinic agonists.

Technology Process of 2-Fluoro-N-methylaniline

There total 15 articles about 2-Fluoro-N-methylaniline 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: 99.4%

2-Fluoroaniline (348-54-9) + carbonic acid dimethyl ester (616-38-6) → 2-fluoro-N-methylaniline (1978-38-7)

Guidance literature:

under 760.051 Torr; Reagent/catalyst; Molecular sieve; Reflux; Green chemistry;

Reference yield: 98.4%

N-methyl-N-(2-fluorophenyl)formamide (1272654-63-3) → 2-fluoro-N-methylaniline (1978-38-7)

Guidance literature:

With sulfuric acid; water; at 80 ℃; for 5h;

Reference yield: 96.6%

N-(2-fluorophenyl)methanimine → 2-fluoro-N-methylaniline (1978-38-7)

Guidance literature:

With hydrogen; at 120 ℃; for 3h; under 7500.75 Torr; Reagent/catalyst; Temperature; Pressure;

upstream raw materials:

2-Fluoroaniline

methyl iodide

N-(2-fluorophenyl)formamide

N-methyl-N-nosyl-o-fluoroaniline

Downstream raw materials:

N-(2-bromoallyl)-N-methyl-2-fluoroaniline

N-(2-bromobenzyl)-2-fluoro-N-methylaniline

N-(2-bromo-4,5-methylenedioxybenzyl)-2-fluoro-N-methylaniline

N¹-(2-fluorophenyl)-N¹-methylbenzene-1,2-diamine

Refernces

• 1、 -. "Preparation method for coproducing N-methyl-2-fluoroaniline and crystallized sulfanilamide". . . Retrieved 2020/07/27.
• 2、 -. "Manufacturing method for halogen substituted N-methylaniline". Paragraph 0025-0029; 0031-0032; 0033; 0034; 0043. . Retrieved 2019/09/05.