33184-16-6

Name	5-fluoro-2-methylbenzoic acid
Synonyms	RARECHEM AL BO 0443 5-FLUORO-O-TOLUIC ACID 5-Fluoro-o-toluic acid 5-fluoro-2-methylbenzoate 5-fluoro-2-methylbenzoic acid 5-FLUORO-2-METHYLBENZOIC ACID 2-Methyl-5-fluorobenzoic acid 5-Fluoro-2-methylbenzoic acid 2-METHYL-5-FLUOROBENZOIC ACID 2-Methyl-5-Fluoro Benzoic Acid Benzoic acid, 5-fluoro-2-Methyl- 2,3,4,5,6-pentafluorophenylalanine 5-Fluoro-2-Methyl Benzoic Acid 2-Methyl-5-Fluorobenzoic Acid
CAS	33184-16-6
EINECS	608-840-5
InChI	InChI=1/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)/p-1
InChIKey	JVBLXLBINTYFPR-UHFFFAOYSA-N

Molecular Formula	C8H7FO2
Molar Mass	154.14
Density	1.258±0.06 g/cm3(Predicted)
Melting Point	130-132 °C (lit.)
Boling Point	262.1±20.0 °C(Predicted)
Flash Point	112.3°C
Vapor Presure	0.00563mmHg at 25°C
Appearance	White powder
Color	Beige to light gray
BRN	2249813
pKa	3.53±0.25(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00042294
Use	Used as a pharmaceutical Intermediate

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29163990
Hazard Class	IRRITANT

application	5-fluoro-2-methylbenzoic acid is an important electronic chemical photoinitiator The raw material is also a pharmaceutical intermediate with great development potential.
synthesis method	there are mainly the following synthesis methods for 5-fluoro-2-methylbenzoic acid:(1)Johansson et al. directly heated to hydrolyze 5-fluoro-2-methylbenzoic acid under strong alkaline conditions to obtain 5-fluoro-2-methylbenzoic acid (WO2004110344, December 23, 2004). The method is simple and the yield is high, but the synthetic route of raw material 5-fluoro-2-methylbenzonitrile is complicated and the cost is high. (2)Brunck et al. used 2-bromo-5-fluorotoluene as raw material, reacted in a format to obtain magnesium salt, and then reacted with dry ice to obtain 5-fluoro-2-methylbenzoic acid (US6342504,2002.01.29). Rudolph et al. used 2-bromo-5-fluorotoluene as raw material, and reacted with butyl lithium at low temperature (-78 ℃), and then reacted with dry ice to obtain 5-fluoro-2-methylbenzoic acid (WO2004050651,2004.06.15). The reaction conditions of these two methods are relatively harsh, requiring anhydrous and oxygen-free reaction, and lithiation reaction also requires ultra-low temperature operation, which is not conducive to industrial scale-up production. Moreover, the synthesis of raw material 2-bromo-5-fluorotoluene is also complicated and costly.
use	as a pharmaceutical intermediate

Last Update：2024-04-09 19:05:03

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