TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
- Product Name
- TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
- CAS No.
- 398491-61-7
- Chemical Name
- TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
- Synonyms
- 4H;6-dimethyl-4;6H)-carboxylate;4-c]pyrazole-5(1H;6-dihydropyrrolo[3;6-diMethylpyrrolo[3;tert-butyl 3-aMino-6;6H)-carboxylatetertbutyl;4-c]pyrazole-5(1H)-carboxylate;Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid
- CBNumber
- CB1138788
- Molecular Formula
- C12H20N4O2
- Formula Weight
- 252.31
- MOL File
- 398491-61-7.mol
TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE Property
- Boiling point:
- 420.6±45.0 °C(Predicted)
- Density
- 1?+-.0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 16.38±0.40(Predicted)
- form
- crystals
- color
- White
- InChI
- InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)
- InChIKey
- XOQXOJPUZGHMLL-UHFFFAOYSA-N
- SMILES
- N1=C(N)C2CN(C(OC(C)(C)C)=O)C(C)(C)C=2N1
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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
- B750313
- Product name
- tert-Butyl3-Amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B750313
- Product name
- tert-Butyl3-Amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- FB148679
- Product name
- tert-Butyl3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
- Packaging
- 100mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FB148679
- Product name
- tert-Butyl3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
- Packaging
- 250mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- FB148679
- Product name
- tert-Butyl3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
- Packaging
- 500mg
- Price
- $150
- Updated
- 2021/12/16
TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE Chemical Properties,Usage,Production
Synthesis
946497-94-5
398491-61-7
Tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate (11.5 g, 48.2 mmol) was used as a raw material and dissolved in ethanol (300 mL). To this solution was added hydrazine hydrochloride (4.95 g, 72.4 mmol) and the reaction mixture was stirred at 85 °C for 18 hours. Upon completion of the reaction, the mixture was concentrated under vacuum to remove the solvent. The concentrated residue was dissolved in ethyl acetate (200 mL) and washed with saturated aqueous sodium bicarbonate. The aqueous phase was dried with magnesium sulfate and again concentrated under vacuum. The product was purified by column chromatography (eluent: ethyl acetate solution containing 3% methanol) to give tert-butyl 3-amino-6,6-dimethylpyrrolo[3,4-C]pyrazole-5(1H,4H,6H)-5-carboxylate (5.5 g, 46% yield) as an off-white solid. The product was characterized by 1H NMR (DMSO-d6) with chemical shifts δ 11.12 (s, 1H), 5.05 (s, 2H), 4.11-4.07 (m, 2H), 1.50-1.48 (m, 6H), 1.44-1.41 (m, 9H).
References
[1] Patent: WO2013/91773, 2013, A1. Location in patent: Page/Page column 81
[2] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 2107 - 2150
TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE manufacturers
- Product
- TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE 398491-61-7
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 95%
- Supply Ability
- 2000
- Release date
- 2025-09-25
- Product
- TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE 398491-61-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2019-08-07