657428-42-7

Basic information

• Product Name: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester
• Synonyms: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester;5-Boc-4,6-Dihydro-1H-pyrrolo[3,4-c]pyrazole;5-Boc-4,6-Dihydro-1H-pyrr...;tert-butyl 1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5- carboxylate;tert-butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate;N-Boc-pyrazolopyrrolidine;4,6-Dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid tert-butyl ester;tert-Butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
• CAS NO: 657428-42-7
• Molecular Formula: C10H15N3O2
• Molecular Weight: 209.245
• Product Categories: Heterocycles series
• Mol File: 657428-42-7.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 366 °C at 760 mmHg
• Flash Point: 175.2 °C
• Appearance: /
• Density: 1.243 g/cm³
• Vapor Pressure: 1.51E-05mmHg at 25°C
• Refractive Index: 1.563
• Storage Temp.: 2-8°C
• PKA: 15.04±0.20(Predicted)
• CAS DataBase Reference: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester(657428-42-7)
• EPA Substance Registry System: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester(657428-42-7)

Safety Data

• Hazardous Substances Data: 657428-42-7(Hazardous Substances Data)

Usage

Description

Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester, also known as 4,6-Dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic Acid tert-Butyl Ester, is a chemical compound that serves as an intermediate in the synthesis of various pharmaceuticals. It is characterized by its unique molecular structure, which contributes to its specific reactivity and applications in the field of drug development.

Uses

Used in Pharmaceutical Industry:
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester is used as an intermediate in the synthesis of Omarigliptin (O633100), a potent and selective dipeptidyl peptidase 4 (DPP-4) inhibitor. The application reason for this compound is to develop a treatment for type 2 diabetes, as DPP-4 inhibitors play a crucial role in regulating blood glucose levels by increasing the levels of insulin and decreasing the levels of glucagon in the body.

InChI:InChI=1/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)

Upstream product

• 101385-93-7 3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 905274-02-4 tert-butyl (3Z)-3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 157327-42-9 3-(dimethylaminomethylene)-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 175463-32-8 3-cyano-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester 
• 146256-98-6 4-oxo-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester 

Downstream Products

• 1226781-80-1 2-methylsulfonic acid-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole 
• 1226781-81-2 tert-butyl 1-(methylsulfonyl)-4.6-dihydropyrrolo[3,4-c]pyrazole-5 (1H)carboxylate 
• 1226781-82-3 tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate 
• 6573-19-9 1,4,5,6-tetrahydropyrrolo[3, 4-c]pyrazole 
• 1270030-12-0 tert-butyl [(2R,3S,5R)-5-[2-(2-amino-2-oxoethyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]carbamate 
• 1270029-73-6 2-{5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl}acetamide 
• 1270029-74-7 methyl {5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl}acetate 
• 1270029-75-8 {5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl}acetic acid hydrochloride 
• 1270029-76-9 2-{5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl}ethanol 
• 1270029-90-7 tert-butyl 2-(2-amino-2-oxoethyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate 
• 1270029-91-8 tert-butyl 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate 
• 1280210-80-1 2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate 
• 1416137-42-2 C₁₇H₂₀FN₃O₄S 
• 1416137-41-1 C₂₁H₂₇FN₄O₄S 

Relevant articles and documents

Pyrrolopyrazole derivative and preparation method and medical application thereof

The invention relates to a pyrrolopyrazole derivative and a preparation method and a medical application thereof. Specifically, the invention relates to a new pyrrolopyrazole derivative as shown in ageneral formula (I), a preparation method of the pyrrolopyrazole derivative and application of the pyrrolopyrazole derivative or a pharmaceutical composition containing the pyrrolopyrazole derivativeas a therapeutic agent, particularly as a gastric acid secretion inhibitor and potassium ion competitive acid blockers (P-CABs) in biological medicines, wherein substituents (R1, R2, R3 and R4) and groups (X) in the general formula (I) are the same as defined in the specification.

Pyrrolopyrazole derivatives and preparation method thereof, and application of pyrrolopyrazole derivatives in medicines

The invention relates to pyrrolopyrazole derivatives and a preparation method thereof, and application of the pyrrolopyrazole derivatives in medicines. Specifically, the invention relates to novel pyrrolopyrazole derivatives as shown in a general formula (I) in the specification, the preparation method of the pyrrolopyrazole derivatives and application of the pyrrolopyrazole derivatives or pharmaceutical compositions containing the pyrrolopyrazole derivatives as therapeutic agents, particularly as gastric acid secretion inhibitors and potassium ion competitive acid blockers P-CABs) in biological medicines. All the substituents (R1, R2, R3, R4 and R5) and a group (X) in the general formula (I) are as defined in the specification.

Preparation method for omarigliptin midbody

The invention provides an efficient and simple preparation method for omarigliptin midbody pyrrole and [3,4-c] pyrazol-5(2H,4H,6H)-carboxylic acid tert-butyl ester, wherein the total recovery ratio is close to 50%. The preparation method is easy to operate, the recovery ratio is higher, three produced wastes are less, and the method is suitable for industrialized production.