| Identification | More | [Name]
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde | [CAS]
27006-76-4 | [Synonyms]
5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXALDEHYDE
5-CHLORO-1,3-DIMETHYL PYRAZOLE-4-ALDEHYDE
5-CHLORO-1,3-DIMETHYLPYRAZOLE-4-CARBOXALDEHYDE
BUTTPARK 36\18-27
TIMTEC-BB SBB005568
5-Chloro-1,3-Dimethyl-1H-Pyraz
5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-ALDEHYDE
1，3-dimethyl-5-chloro-1 H-pyrazole-4-carboxaldehyde
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde ,97%
1,3-Dimethyl-5-chloro-1H-pyrazole-4-carbaldehyde | [Molecular Formula]
C6H7ClN2O | [MDL Number]
MFCD00052538 | [Molecular Weight]
158.59 | [MOL File]
27006-76-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
78-79°C | [Boiling point ]
255.7±35.0 °C(Predicted) | [density ]
1.31±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder to crystal | [pka]
-0.60±0.10(Predicted) | [color ]
White to Yellow to Orange | [Detection Methods]
HPLC | [CAS DataBase Reference]
27006-76-4(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [RIDADR ]
2811 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29124990 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white to brown solid | [Synthesis]
Step 2: Synthesis of 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde: 2,5-dimethyl-1H-pyrazol-3(2H)-one (32 g, 285.71 mmol) was mixed with POCl3 (128 mL) at 0 °C and N,N-dimethylformamide (26.35 mL, 342.85 mmol) was added slowly. The reaction mixture was warmed to 100 °C and stirred for 7 h, during which the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was concentrated to dryness under reduced pressure. The residue was alkalized with aqueous sodium bicarbonate and extracted with ethyl acetate. The organic layers were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography to afford the target compound 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde (28 g, 62.0% yield). | [References]
[1] Patent: WO2015/10049, 2015, A1. Location in patent: Paragraph 0712; 0713
[2] Patent: WO2015/200650, 2015, A1. Location in patent: Paragraph 0519; 0522-0523
[3] Patent: CN103951663, 2016, B. Location in patent: Paragraph 0221; 0224; 0225 |
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