ChemicalBook > CAS DataBase List > 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester

1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester

Product Name
1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
CAS No.
578008-32-9
Chemical Name
1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
Synonyms
1-Boc-3-Amino-5-methylpyrazole;3-Amino-1-Boc-5-methyl-1H-pyrazole;1-BOC-3-amino-5-methyl-1H-pyrazole;tert-butyl 3-amino-5-methyl-pyrazole-1-carboxylate;tert-Butyl 3-amino-5-methyl-1H-pyrazol-1-carboxylate;tert-butyl 3-aMino-5-Methyl-1H-pyrazole-1-carboxylate;3-Amino-5-methylpyrazole-1-carboxylic acid tert-butyl ester;tert-butyl 3-amino-5-methyl-pyrazole-1-carboxylate - [B87012];1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
CBNumber
CB01281817
Molecular Formula
C9H15N3O2
Formula Weight
197.23
MOL File
578008-32-9.mol
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1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester Property

Boiling point:
322.7±34.0 °C(Predicted)
Density 
1.18±0.1 g/cm3(Predicted)
storage temp. 
2-8°C, protect from light
pka
2.89±0.11(Predicted)
Appearance
White to yellow Solid
InChI
InChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11)
InChIKey
GJDCNROAKOCYIQ-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)C(C)=CC(N)=N1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
B943468
Product name
tert-Butyl3-Amino-5-methyl-1H-pyrazole-1-carboxylate
Packaging
50mg
Price
$110
Updated
2021/12/16
AK Scientific
Product number
X3802
Product name
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
Packaging
1g
Price
$294.8
Updated
2021/12/16
Crysdot
Product number
CD11100945
Product name
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
Purity
95+%
Packaging
1g
Price
$99
Updated
2021/12/16
Alichem
Product number
578008329
Product name
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
Packaging
5g
Price
$310.4
Updated
2021/12/16
Crysdot
Product number
CD11100945
Product name
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
Purity
95+%
Packaging
5g
Price
$317
Updated
2021/12/16
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1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester Chemical Properties,Usage,Production

Synthesis

31230-17-8

24424-99-5

1065204-79-6

578008-32-9

GENERAL STEPS: 3-Amino-5-methyl-1H-pyrazole (2.0 g, 20.6 mmol) was dissolved in THF (40 ml) and cooled to 0 °C. NaH (95%, 0.57 g, 22.7 mmol) was added slowly with stirring. after 30 min, di-tert-butyl dicarbonate (Boc2O, 4.94 g, 22.7 mmol) was added and then the mixture was gradually warmed up to room temperature. The reaction mixture continued to be stirred at room temperature for 2 hours. After completion of the reaction, the mixture was poured into saturated aqueous NaHCO3 solution. The aqueous phase was extracted with CHCl3, the organic phases were combined and dried over Na2SO4. The solvent was removed by concentration under reduced pressure to give a crude mixture of 1-Boc-3-amino-5-methylpyrazole and its tert-butyl 2-carboxylate isomer. The separation and purification was carried out by silica gel column chromatography using ethyl acetate/heptane (2:1) as eluent. The target products 5-amino-3-methyl-1H-pyrazole-1-carboxylic acid tert-butyl ester and 1-Boc-3-amino-5-methylpyrazole were obtained in a yield of 2.4 g and 59%.1H-NMR (400 MHz, D6-DMSO): δ 5.60 (1H, s), 5.27 (2H, s), 2.34 (3H, s), 1.51 (9H, s); MS (ESI+): m/z = 198.26 ([M-H]+).

References

[1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 9, p. 2114 - 2124
[2] Patent: WO2006/32518, 2006, A1. Location in patent: Page/Page column 200
[3] Patent: WO2012/30944, 2012, A2. Location in patent: Page/Page column 81-82
[4] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 9, p. 2114 - 2124
[5] Nucleosides, Nucleotides and Nucleic Acids, 2014, vol. 33, # 8, p. 552 - 582

1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester manufacturers

Career Henan Chemical Co
Product
1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester 578008-32-9
Price
US $6.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1kg, 5kg, 50kg
Release date
2020-01-09

578008-32-9, 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylesterRelated Search:

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  • 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
  • 3-Amino-5-methylpyrazole-1-carboxylic acid tert-butyl ester
  • tert-butyl 3-aMino-5-Methyl-1H-pyrazole-1-carboxylate
  • 3-Amino-1-Boc-5-methyl-1H-pyrazole
  • tert-butyl 3-amino-5-methyl-pyrazole-1-carboxylate
  • 1-BOC-3-amino-5-methyl-1H-pyrazole
  • tert-Butyl 3-amino-5-methyl-1H-pyrazol-1-carboxylate
  • 1-Boc-3-Amino-5-methylpyrazole
  • tert-butyl 3-amino-5-methyl-pyrazole-1-carboxylate - [B87012]
  • 578008-32-9
  • AMINOACID