ChemicalBook Product Catalog Organic Chemistry Amides Naphthenic amines derivatives 3-Fluoro-4-methylaniline

3-Fluoro-4-methylaniline

Product Name3-Fluoro-4-methylaniline
CAS452-77-7
MFC7H8FN
MW125.14
EINECS207-212-4
MOL File452-77-7.mol

Chemical Properties

Melting point	30-32 °C (lit.)
Boiling point	93°C 12mm
Density	1.093 g/mL at 25 °C (lit.)
refractive index	1.5385-1.5405
Flash point	88 °C
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
pka	4.02±0.10(Predicted)
form	powder to lump to clear liquid
color	Light yellow to Brown
Specific Gravity	1.093
BRN	2715987
InChI	InChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey	MGRHBBRSAFPBIN-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(C)C(F)=C1
CAS DataBase Reference	452-77-7(CAS DataBase Reference)

Safety Information

Hazard Codes	T,Xi,Xn
Risk Statements	36/37/38-23/24/25-20/21/22
Safety Statements	45-36/37/39-26-36/37-36
RIDADR	2811
WGK Germany	3
RTECS	XU6825000
Hazard Note	Toxic/Irritant
HazardClass	6.1(b)
PackingGroup	I
HS Code	29214300
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 1 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
3-Fluoro-p-toluidine	English
ACROS	English
ALFA	English

Usage And Synthesis

Chemical Properties

clear pale yellow to brownish liquid after melting

Characteristics

3-Fluoro-4-methylaniline is an amide and has anti-cancer properties.

Uses

3-Fluoro-4-methylaniline is a synthesized compound that is used to produce anti-cancer agents.

Synthesis

1427-07-2

452-77-7

General procedure for the synthesis of 3-fluoro-4-methylaniline from 2-fluoro-4-nitrotoluene: Freshly distilled toluene (0.6 mL), aromatic nitro compounds (0.60 mmol), indium triiodide (InI3, 14.9 mg, 0.030 mmol) and 1,1,3,3-tetramethyldi siloxane (TMDS, 318 μL, 1.80 mmol). After sealing the vial with a polytetrafluoroethylene (PTFE) septum, the mixture was stirred at 60 °C (bath temperature) and the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, 5 mL of aqueous sodium bicarbonate (NaHCO3) was added to the mixture, which was then extracted with ethyl acetate (EtOAc, 3 × 6 mL). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: n-hexane-ethyl acetate, from 9:1 to 4:1) to obtain the target product 3-fluoro-4-methylaniline.

References

[1] Tetrahedron Letters, 2003, vol. 44, # 42, p. 7783 - 7787
[2] Synthesis (Germany), 2015, vol. 47, # 20, p. 3179 - 3185
[3] Journal of the American Chemical Society, 1950, vol. 72, p. 1806
[4] Monatshefte fuer Chemie, 1959, vol. 90, p. 683,687
[5] Journal of the Chemical Society, 1949, p. Spl. 113

3-Fluoro-4-methylaniline

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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