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
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
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.
N-Bromosuccinimide Price
- Product number
- B943468
- Product name
- tert-Butyl3-Amino-5-methyl-1H-pyrazole-1-carboxylate
- Packaging
- 50mg
- Price
- $110
- Updated
- 2021/12/16
- Product number
- X3802
- Product name
- tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
- Packaging
- 1g
- Price
- $294.8
- Updated
- 2021/12/16
- Product number
- 578008329
- Product name
- tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
- Packaging
- 5g
- Price
- $310.4
- Updated
- 2021/12/16
- Product number
- CD11100945
- Product name
- tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $317
- Updated
- 2021/12/16
- Product number
- CD11100945
- Product name
- tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate
- Purity
- 95+%
- Packaging
- 10g
- Price
- $525
- Updated
- 2021/12/16
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
- 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