| Identification | Back Directory | [Name]
4-CHLORO-2-METHOXYBENZALDEHYDE | [CAS]
53581-86-5 | [Synonyms]
2-Methoxy-4-chlorbenzaldehyd
4-CHLORO-2-METHOXYBENZALDEHYDE
Benzaldehyde, 4-chloro-2-methoxy- | [Molecular Formula]
C8H7ClO2 | [MDL Number]
MFCD08703355 | [MOL File]
53581-86-5.mol | [Molecular Weight]
170.59 |
| Chemical Properties | Back Directory | [Melting point ]
70-75°C | [Boiling point ]
268.8±20.0 °C(Predicted) | [density ]
1.244±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [Appearance]
Off-white to light yellow Solid | [InChI]
1S/C8H7ClO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3 | [InChIKey]
IVBZHFWJBYTRNG-UHFFFAOYSA-N | [SMILES]
COc1cc(Cl)ccc1C=O |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H312 | [Precautionary statements ]
P280 | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22 | [WGK Germany ]
3 | [HS Code ]
2913000090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal |
| Hazard Information | Back Directory | [Synthesis]
The reaction was carried out with 2-fluoro-4-chlorobenzaldehyde (300 mg, 1.89 mmol) and sodium methanol (3784 μL, 1.89 mmol, methanol solution) with stirring at 50 °C for 3 hours. Upon completion of the reaction, the reaction mixture was concentrated to half of the original volume and subsequently purified by Biotage 25 column chromatography using 5% ethyl acetate/hexane as eluent to finally obtain 4-chloro-2-methoxybenzaldehyde (250 mg, 1.47 mmol, 77.5% yield). | [References]
[1] Patent: WO2009/158426, 2009, A1. Location in patent: Page/Page column 140
[2] Angewandte Chemie - International Edition, 2018, vol. 57, # 18, p. 5037 - 5041
[3] Angew. Chem., 2018, vol. 130, # 18, p. 5131 - 5135,5 |
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Sigma-Aldrich
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