4-FLUORO-3-METHOXYBENZALDEHYDE Chemical Properties

Melting point:

58-62 °C(lit.)

Boiling point:

93 °C(Press: 4.5 Torr)

Density 

1.192±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

powder to crystal

color 

White to Light yellow

Sensitive 

Air Sensitive

BRN 

5178063

InChI

InChI=1S/C8H7FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3

InChIKey

NALVGTOMKSKFFV-UHFFFAOYSA-N

SMILES

C(=O)C1=CC=C(F)C(OC)=C1

CAS DataBase Reference

128495-46-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-37/38-41-36/37/38

Safety Statements 

26-36

WGK Germany 

2

HazardClass 

IRRITANT

HS Code 

29124990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-FLUORO-3-METHOXYBENZALDEHYDE Usage And Synthesis

Chemical Properties

White to yellow to tan powder or crystal or crystalline powder

Uses

Synthesis Reference(s)

Journal of Medicinal Chemistry, 33, p. 2408, 1990 DOI: 10.1021/jm00171a014

Synthesis

General procedure for the synthesis of 3-methoxy-4-fluorobenzaldehyde from 3-methoxy-4-fluorobenzyl alcohol: (4-fluoro-3-methoxyphenyl)methanol (5.00 g, 0.03 mol) was mixed with manganese dioxide (33.4 g, 0.38 mol) in dichloromethane (100 mL) under nitrogen protection, and the reaction was stirred for 16 hr under mild reflux conditions. Upon completion of the reaction, the reaction mixture was cooled to room temperature, filtered through Arbacel, and the filtrate was concentrated in vacuum to afford 3-methoxy-4-fluorobenzaldehyde (4.18 g, 0.027 mol, 85% yield) as a white solid. The product was characterized by 1H NMR (CDCl3, 400 MHz): δ 3.96 (s, 3H), 7.23 (d, 1H), 7.43 (m, 1H), 7.50 (d, 1H), 9.91 (s, 1H). The melting point is 61-63°C. Elemental analysis results: measured value C, 62.18; H, 4.54%. Theoretical value (C8H7FO2): C, 62.34; H, 4.58%.

References

[1] Journal of Medicinal Chemistry, 1990, vol. 33, # 9, p. 2408 - 2412
[2] Patent: WO2004/52372, 2004, A1. Location in patent: Page 72
[3] Patent: WO2008/87512, 2008, A1. Location in patent: Page/Page column 43
[4] Patent: EP2862571, 2015, A1. Location in patent: Paragraph 0164; 0165
[5] Patent: US2015/166559, 2015, A1. Location in patent: Paragraph 0220; 0221

4-FLUORO-3-METHOXYBENZALDEHYDE(128495-46-5)Related Product Information

• 4-FLUORO-3-METHOXYBENZALDEHYDE
• 4-FLUORO-3-METHOXYBENZOIC ACID
• 4-FLUORO-3-METHOXYACETOPHENONE
• 3-Methoxy-2,4,5-trifluorobenzoic acid
• 3-METHOXY-2,4,5-TRIFLUOROBENZAMIDE
• Levofloxacin carboxylic acid
• 2,4-DIFLUORO-3-METHOXYBENZALDEHYDE
• 2,4,5-Trifluoro-3-methoxybenzoyl chloride
• 4-Fluoro-3-phenoxybenzaldehyde
• 2,4-Difluoro-3-methoxybenzoic acid
• 2,4-DIFLUORO-3-METHOXY ACETOPHENONE
• 6-CHLORO-2-FLUORO-3-METHOXYBENZALDEHYDE
• 3-CHLORO-5-FLUORO-4-METHOXYBENZALDEHYDE
• 2-FLUORO-4-METHOXYBENZALDEHYDE,2-Fluoro-4-methoxybenzaldehyde 97%,2-Fluoro-4-methoxybenzaldehyde97%
• 3-Fluoro-5-methoxybenzaldehyde 97%,3-Fluoro-5-methoxybenzaldehyde97%
• 3-FLUORO-4-METHOXYBENZALDEHYDE,3-Fluoro-4-Methoxybenzaldehyde/3-Fluoro-P-Anisaldehyde/M-Fluoro-P-Anisaldehyde/
• 2-FLUORO-5-METHOXYBENZALDEHYDE,2-Fluoro-5-methoxybenzaldehyde 98%,2-Fluoro-5-methoxybenzaldehyde98%
• 4-FLUORO-2-METHOXYBENZALDEHYDE