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Home > Encyclopedia > 2-Fluoro-1-methoxy-4-nitrobenzene

2-Fluoro-1-methoxy-4-nitrobenzene

2-Fluoro-1-methoxy-4-nitrobenzene structure

2-Fluoro-1-methoxy-4-nitrobenzene 

structure
  • CAS No:

    455-93-6

  • Formula:

    C7H6FNO3

  • Chemical Name:

    2-Fluoro-1-methoxy-4-nitrobenzene

  • Synonyms:

    Benzene,2-fluoro-1-methoxy-4-nitro-;Anisole,2-fluoro-4-nitro-;2-Fluoro-1-methoxy-4-nitrobenzene;3-Fluoro-4-methoxynitrobenzene;2-Fluoro-4-nitroanisole;NSC 10335

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White to light yellow crystalline powder

2-Fluoro-1-methoxy-4-nitrobenzene Basic Attributes

171.127

171.13

10335

DTXSID90278852

2909309090

Characteristics

55

2.3

Yellow powder

1.321 g/cm3

104.6 °C

227.5°C at 760 mmHg

121.4ºC

1.552

0.000519mmHg at 25°C

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S37/39

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (91.11%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Fluoro-1-methoxy-4-nitrobenzene Use and Manufacturing

General procedure: A three-necked flask equipped with an argon inlet and thermometer was loaded with arene 1 or 3—8 (10 mmol) in dry MeCN (15 mL). Then, BTFE (2.0 g, 14 mmol) was added. The mixture was cooled in the argon stream down to –35 °C and XeFStep 4: General procedure: A mixture of 2-fluorobenzamide (1a, 69.5 mg, 0.5 mmol), MeOH (ca. 32.0 mg, 1.0 mmol), KOH (56.0 mg, 1.0 mmol) and DMSO (2.0 mL) in a 25 mL screw-capped thick-walled Pyrex tube was stirred at room temperature for 16 h, and then water (10 mL) was added to the reaction mixture with stirring, and the mixture was extracted with ethyl acetate three times (3 * 10 mL). The combined organic phases were dried over Na3, 4-difluoronitrobenzene (31.88, 0.2111001), high purity NaOH (168, 0.4111001), methanol (88, 0.25mo 1), DMSO (200 mL) was added to the reactor and the reaction was stirred at 20 ° C for 12 hours. After completion of the reaction, 800 mL of ethyl acetate was added to the system and diluted 5 times with 200 mL of saturated brine. The organic phase was separated and dried over anhydrous sodium sulfateAfter which it was filtered, evaporated to dryness, and then it was loaded onto a silica gel column to separate petroleum ether: ethyl acetate = 4: 1 (volume) Was eluted as an eluent until the product appeared, the solution containing the product was collected and evaporated to dryness. After drying with a vacuum chestnut, 3-fluoro-4-methoxy nitrobenzene pure product, the yield of 57percent.

Computed Properties

Molecular Weight:171.13
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.03317122
Monoisotopic Mass:171.03317122
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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