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5-Fluoro-2-methoxybenzenemethanol

5-Fluoro-2-methoxybenzenemethanol structure

5-Fluoro-2-methoxybenzenemethanol 

structure
  • CAS No:

    426831-32-5

  • Formula:

    C8H9FO2

  • Chemical Name:

    5-Fluoro-2-methoxybenzenemethanol

  • Synonyms:

    Benzenemethanol,5-fluoro-2-methoxy-;5-Fluoro-2-methoxybenzenemethanol;(5-Fluoro-2-methoxyphenyl)methanol;5-Fluoro-2-methoxybenzyl alcohol

  • Categories:

    Organic Chemistry  >  Coordination Complexes

5-Fluoro-2-methoxybenzenemethanol Basic Attributes

156.1542632

156.15

DTXSID70621504

2909499000

Characteristics

29.5

1.1

1.2±0.1 g/cm3

242℃

119℃

1.511

Safety Information

P264, P280, P305+P351+P338, P33, P313

H319

|Warning|H319 (98.86%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 88 companies from 2 notifications to the ECHA C&L Inventory.

5-Fluoro-2-methoxybenzenemethanol Use and Manufacturing

To a solution of 2-Methoxy-5-fluorobenzaldehyde (11.093g, 1 equiv.- available from Aldrich Chemical Company) in methanol at-10 °C under nitrogen atmosphere was added NaBH4 (7.515g, 2.7 equiv. ) portionwise. The solution was allowed to warm to room temperature and after 30 minutes the reaction solvent was removed under reduced pressure and replaced with dichloromethane. This solution was poured onto ice water and further extracted with dichloromethane. The organic fractions were collected and dried [(MGS04)] and the solvent removed under reduced pressure to give the title compound as an oil (9.794g, [87percent).APOS;H] NMR [(300MHZ, ] [CDC13)] : [6] 2. [58] (m, 1H), 3.81 (s, 3H), 4.63 (d, 2H, [J =] 6.3 Hz), 6.78 (dd, [1H, ] J= 8.9 and 4.3 Hz), 6.94 (td, 1H, J = 8.5 and 3. 1Hz), 7.04 (dd, 1H, J = 8.7 and 3. 1Hz).To a solution OF 2-METHOXY-5-FLUOROBENZALDEHYDE (11. 093g, 1 equiv.-available from Aldrich Chemical Company) in methanol at-10 °C under nitrogen atmosphere was added NaBH4 (7. 515G, 2.7 equiv. ) portionwise. The solution was allowed to warm to room temperature and after 30 minutes the reaction solvent was removed under reduced pressure and replaced with dichloromethane. This solution was poured onto ice water and further extracted with dichloromethane. The organic fractions were collected and dried (MgS04) and the solvent removed under reduced pressure to give the title compound as an oil (9.794g, 87percent). H NMR (300MHZ, CDC13) : 6 2.58 (m, 1H), 3.81 (s, 3H), 4.63 (d, 2H, J= 6.3 Hz), 6. 78 (dd, 1H, J= 8.9 and 4.3 Hz), 6.94 (td, 1H, J= 8.5 and 3. 1HZ), 7.04 (dd, 1H, J= 8. 7 AND 3. 1HZ).To a solution of 2-Methoxy-5-fluorobenzaldehyde (11. 093g, 1 equiv. -available from Aldrich Chemical Company) in methanol at-10 °C under nitrogen atmosphere was added NaBH4 (7. 515g, 2.7 equiv.) portionwise : The solution was allowed to warm to room temperature and after 30 minutes the reaction solvent was removed under reduced pressure and replaced with dichloromethane. This solution was poured onto ice water and further extracted with dichloromethane. The organic fractions were collected and dried (MGSO4) and the solvent removed under reduced pressure to give the title compound as an oil (9. 794g, 87percent). H NMR (300MHZ, CDC13) : No. 2. 58 (m, 1H), 3. 81 (s, 3H), 4.63 (d, 2H, J= 6.3 Hz), 6.78 (dd, 1H, J= 8.9 and 4.3 Hz), 6.94 (td, 1H, J= 8.5 and 3. 1Hz), 7.04 (dd, 1H, J= 8. 7 AND 3. 1HZ).To a solution of 2-Methoxy-5-fluorobenzaldehyde (11. 093g, 1 equiv.-available from Aldrich Chemical Company) in methanol at-10 °C under nitrogen atmosphere was added NaBH4 (7.515g, 2.7 equiv. ) portionwise. The solution was allowed to warm to room temperature and after 30 minutes the reaction solvent was removed under reduced pressure and replaced with dichloromethane. This solution was poured onto ice water and further extracted with dichloromethane. The organic fractions were collected and dried (MgSO4) and the solvent removed under reduced pressure to give the title compound as an oil (9.794g, 87percent).'H NMR (300MHz, CDC13) : S 2.58 (m, 1H), 3.81 (s, 3H), 4.63 (d, 2H, J = 6.3 Hz), 6.78 (dd, 1H, J = 8.9 and 4.3 Hz), 6.94 (td, 1H, J = 8. 5 and 3. lHz), 7.04 (dd, 1H, J= 8. 7 and 3. 1Hz).(5-Fluoro-2-methoxy-phenyl)-methanol To a solution of 2-methoxy-5-fluorobenzaldehyde (11. 093g, 1 eq, available from Aldrich Chemical Company) in methanol at-10 C under nitrogen atmosphere is added NaBH4

Computed Properties

Molecular Weight:156.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:156.05865769
Monoisotopic Mass:156.05865769
Topological Polar Surface Area:29.5
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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