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60815-18-1

60815-18-1 Structure

60815-18-1 Structure
IdentificationBack Directory
[Name]

(3-METHOXYBENZYL)PHOSPHONIC ACID DIETHYL ESTER
[CAS]

60815-18-1
[Synonyms]

Diethyl 3-methoxyben
3-(DIETHYLPHOSPHONOMETHYL)ANISOLE
DIETHYL (3-METHOXYBENZYL)PHOSPHONATE
Diethyl 3-Methoxybenzyl phosphonate, 98 %
m-Methoxybenzylphosphonic acid diethyl ester
diethyl [(3-Methoxyphenyl)Methyl]phosphonate
(3-METHOXYBENZYL)PHOSPHONIC ACID DIETHYL ESTER
3-(Diethylphosphonomethyl)anisole (3-Methoxybenzyl)phosphonic Acid Diethyl Ester
[Molecular Formula]

C12H19O4P
[MDL Number]

MFCD08276363
[MOL File]

60815-18-1.mol
[Molecular Weight]

258.25
Chemical PropertiesBack Directory
[Boiling point ]

135 °C / 0.5mmHg
[density ]

1.13
[refractive index ]

1.5020-1.5060
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Sparingly)
[form ]

Oil
[color ]

Colourless
[Stability:]

Moisture Sensitive
[CAS DataBase Reference]

60815-18-1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2920.90.2000
Hazard InformationBack Directory
[Synthesis]

3-METHOXYBENZYL BROMIDE

874-98-6

Triethyl phosphite

122-52-1

(3-METHOXYBENZYL)PHOSPHONIC ACID DIETHYL ESTER

60815-18-1

Step 1: A mixture of triethyl phosphite (1.45 g, 8.70 mmol) and 1-(bromomethyl)-3-methoxybenzene (1.50 g, 7.50 mmol) was stirred and reacted at 90 °C overnight under nitrogen protection. After completion of the reaction, the mixture was cooled to room temperature to afford the yellow oily product diethyl 3-methoxybenzylphosphonate (1.84 g, 95.9% yield). The product did not require further purification and could be used directly in the next step of the reaction. The product was characterized by the following spectral data: mass spectrum (ESI, positive ion mode) m/z: 259.2 ([M + H]+); exact mass of molecular formula C12H19O4P: 258.10.

[References]

[1] Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 22, p. 7724 - 7730
[2] Patent: WO2015/90232, 2015, A1. Location in patent: Paragraph 00246
[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 24, p. 7444 - 7447
[4] Journal of the American Chemical Society, 1976, vol. 98, # 18, p. 5574 - 5581
[5] Journal of Medicinal Chemistry, 2005, vol. 48, # 4, p. 1292 - 1295
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