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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;1h-Pyrazole-1-Carboxylic Acid, 3-Amino-5-Methyl-, 1,1-Dimethylethyl Este
CBNumber:
CB01281817
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.23
MDL Number:
MFCD13252375
MOL File:
578008-32-9.mol
Last updated:2025-07-24 18:13:54
Product description Number Pack Size Price
tert-Butyl3-Amino-5-methyl-1H-pyrazole-1-carboxylate B943468 50mg $110
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate X3802 1g $294.8
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 578008329 5g $310.4
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 95+% CD11100945 5g $317
tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 95+% CD11100945 10g $525

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

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

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338

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

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC B943468 tert-Butyl3-Amino-5-methyl-1H-pyrazole-1-carboxylate 578008-32-9 50mg $110 2021-12-16 Buy
AK Scientific X3802 tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 578008-32-9 1g $294.8 2021-12-16 Buy
Alichem 578008329 tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 578008-32-9 5g $310.4 2021-12-16 Buy
Crysdot CD11100945 tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 95+% 578008-32-9 5g $317 2021-12-16 Buy
Crysdot CD11100945 tert-Butyl3-amino-5-methyl-1H-pyrazole-1-carboxylate 95+% 578008-32-9 10g $525 2021-12-16 Buy
Product number Packaging Price Buy
B943468 50mg $110 Buy
X3802 1g $294.8 Buy
578008329 5g $310.4 Buy
CD11100945 5g $317 Buy
CD11100945 10g $525 Buy

1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester Chemical Properties,Uses,Production

Synthesis

3-Amino-5-methylpyrazole

31230-17-8

Di-tert-butyl dicarbonate

24424-99-5

tert-butyl5-amino-3-methyl-1H-pyrazole-1-carboxylate

1065204-79-6

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

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

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

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester pictures 2020-01-10 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
578008-32-9
US $6.00 / KG 1KG 98% 1kg, 5kg, 50kg Career Henan Chemical Co

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

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] 1h-Pyrazole-1-Carboxylic Acid, 3-Amino-5-Methyl-, 1,1-Dimethylethyl Este 578008-32-9 AMINOACID