| Identification | Back Directory | [Name]
Methyl 5-broMo-1H-pyrazole-3-carboxylate | [CAS]
1328893-17-9 | [Synonyms]
Methyl 5-Bromopyrazole-3-carboxylate
Methyl 5-broMo-1H-pyrazole-3-carboxylate
1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester | [EINECS(EC#)]
814-396-5 | [Molecular Formula]
C5H5BrN2O2 | [MDL Number]
MFCD23701497 | [MOL File]
1328893-17-9.mol | [Molecular Weight]
205.01 |
| Questions And Answer | Back Directory | [Preparation]
First, the nitrogen of 3-bromopyrazole was protected to form an N-dimethylsulfonyl derivative using dimethylsulfonyl chloride and triethylamine in dichloromethane; then, it was deprotonated with LDA/THF at -70 °C and carboxylated by passing CO₂ through it; finally, it was deprotected and esterified by hydrolysis with trifluoroacetic acid at room temperature for 1 h, and purified to obtain methyl 5-bromo-1H-pyrazole-3-carboxylate. |
| Chemical Properties | Back Directory | [Boiling point ]
329.5±22.0 °C(Predicted) | [density ]
1.781±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly) | [form ]
solid | [pka]
7.92±0.10(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C5H5BrN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8) | [InChIKey]
RLDJSZKPUPTTNO-UHFFFAOYSA-N | [SMILES]
N1C(Br)=CC(C(OC)=O)=N1 |
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