Home Cart 0 Sign in  

[ CAS No. 3950-18-3 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 3950-18-3
Chemical Structure| 3950-18-3
Structure of 3950-18-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 3950-18-3 ]

Related Doc. of [ 3950-18-3 ]

SDS
Alternatived Products of [ 3950-18-3 ]
Alternatived Products of [ 3950-18-3 ]

Product Details of [ 3950-18-3 ]

CAS No. :3950-18-3MDL No. :MFCD24479704
Formula : C10H8N2O3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :204.18Pubchem ID :15710445
Synonyms :

Computed Properties of [ 3950-18-3 ]

TPSA : 69.6 H-Bond Acceptor Count : 4
XLogP3 : 1.2 H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 3950-18-3 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3950-18-3 ]

  • Downstream synthetic route of [ 3950-18-3 ]

[ 3950-18-3 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 77-78-1 ]
  • [ 3950-18-3 ]
  • [ 92576-30-2 ]
  • 2
  • [ 100-39-0 ]
  • [ 3950-18-3 ]
  • benzyl 3-benzyloxy-1-phenyl-1H-pyrazole-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
92% With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 90.0℃; A mixture of <strong>[3950-18-3]3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylic acid</strong> (29.55 g), benzyl bromide (35 ml), potassium carbonate (40.99 g) and N,N-dimethylformamide (300 ml) was stirred overnight at 90C. The reaction mixture was poured into dilute hydrochloric acid and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, dried (MgSO4) and concentrated. The residue was subjected to silica gel column chromatography, and benzyl 3-benzyloxy-1-phenyl-1H-pyrazole-5-carboxylate (51.33 g, yield 92%) was obtained as a colorless oil from a fraction eluted with ethyl acetate-hexane (1:2, volume ratio).1H-NMR(CDCl3)delta:5.20 (2H, s), 5.27 (2H, s), 6.49 (1H, s), 7.18-7.47 (15H, m).
92% With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 90.0℃; Reference Example 3 A mixture of3-hydroxy-l-phenyl-lH-pyrazole-5-carboxylic acid (29.55 g), benzyl bromide (35 ml), potassium carbonate (40.99 g) and N, N-dimethylformamide (300 ml) was stirred overnight at90 C. The reaction mixture was poured into dilute hydrochloric acid, and extracted with ethyl acetate. The ethyl acetate layer was washed with saturated aqueous sodium chloride solution, dried(MgSO4) and concentrated. The residue was subjected to silica gel column chromatography, and benzyl3-benzyloxy-l-phenyl-lH-pyrazole-5-carboxylate (51.33 g, yield92%) was obtained as a colorless oil from a fraction eluted with ethyl acetate-hexane (1: 2, volume ratio). 1H-NMR (CDC13) delta : 5.20 (2H, s), 5.27 (2H, s), 6.49 (1H, s), 7.18-7. 47 (15H, m).
  • 3
  • [ 3950-18-3 ]
  • 3-benzyloxy-1-phenyl-1H-pyrazole-5-carboxylic acid [ No CAS ]
  • 4
  • [ 3950-18-3 ]
  • 1-phenyl-3-(3-{3-[4-(trifluoromethyl)phenyl]-5-isoxazolyl}propoxy)-1H-pyrazole-5-carboxylic acid [ No CAS ]
  • 5
  • [ 3950-18-3 ]
  • 3-[1-phenyl-3-(4-{3-[4-(trifluoromethyl)phenyl]-5-isoxazolyl}butoxy)-1H-pyrazol-5-yl]propionic acid [ No CAS ]
  • 6
  • [ 3950-18-3 ]
  • 3-benzyloxy-1-phenyl-1H-pyrazole-5-carbaldehyde [ No CAS ]
  • 7
  • [ 3950-18-3 ]
  • [ 464185-46-4 ]
Historical Records

Related Functional Groups of
[ 3950-18-3 ]

Carboxylic Acids

Chemical Structure| 126674-95-1

[ 126674-95-1 ]

3-Methoxy-1-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.86

Chemical Structure| 400755-43-3

[ 400755-43-3 ]

1-Ethyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.85

Chemical Structure| 16034-46-1

[ 16034-46-1 ]

1-Methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.82

Chemical Structure| 50920-65-5

[ 50920-65-5 ]

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.80

Chemical Structure| 5744-56-9

[ 5744-56-9 ]

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.78

Aryls

Chemical Structure| 132274-70-5

[ 132274-70-5 ]

1-Phenyl-1H-pyrazole-5-carbaldehyde

Similarity: 0.77

Chemical Structure| 10250-64-3

[ 10250-64-3 ]

1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.71

Chemical Structure| 871239-17-7

[ 871239-17-7 ]

3-Bromo-1-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

Similarity: 0.71

Chemical Structure| 1134-50-5

[ 1134-50-5 ]

1-Phenyl-1H-pyrazole-4-carboxylic acid

Similarity: 0.70

Chemical Structure| 76205-19-1

[ 76205-19-1 ]

1-(4-Chlorophenyl)-1H-pyrazol-3-ol

Similarity: 0.69

Alcohols

Chemical Structure| 76205-19-1

[ 76205-19-1 ]

1-(4-Chlorophenyl)-1H-pyrazol-3-ol

Similarity: 0.69

Chemical Structure| 84547-61-5

[ 84547-61-5 ]

(1-Methyl-1H-pyrazol-5-yl)methanol

Similarity: 0.68

Chemical Structure| 143426-49-7

[ 143426-49-7 ]

(4-Pyrazol-1-yl-phenyl)methanol

Similarity: 0.68

Chemical Structure| 103755-56-2

[ 103755-56-2 ]

5-Amino-1-phenyl-1H-pyrazol-3-ol

Similarity: 0.67

Chemical Structure| 70817-26-4

[ 70817-26-4 ]

(1-Phenyl-1H-pyrazol-4-yl)methanol

Similarity: 0.66

Related Parent Nucleus of
[ 3950-18-3 ]

Aromatic Heterocycles

Chemical Structure| 126674-95-1

[ 126674-95-1 ]

3-Methoxy-1-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.86

Chemical Structure| 55781-86-7

[ 55781-86-7 ]

Methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate

Similarity: 0.84

Chemical Structure| 16034-46-1

[ 16034-46-1 ]

1-Methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.82

Chemical Structure| 50920-65-5

[ 50920-65-5 ]

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.80

Chemical Structure| 17827-60-0

[ 17827-60-0 ]

Methyl 1-methyl-1H-pyrazole-5-carboxylate

Similarity: 0.80

Pyrazoles

Chemical Structure| 126674-95-1

[ 126674-95-1 ]

3-Methoxy-1-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.86

Chemical Structure| 400755-43-3

[ 400755-43-3 ]

1-Ethyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.85

Chemical Structure| 55781-86-7

[ 55781-86-7 ]

Methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate

Similarity: 0.84

Chemical Structure| 16034-46-1

[ 16034-46-1 ]

1-Methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.82

Chemical Structure| 50920-65-5

[ 50920-65-5 ]

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Similarity: 0.80