1172623-95-8

Basic information

• Product Name: tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate
• Synonyms: tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate;tert-Butyl [1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl]carbamate;(1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate
• CAS NO: 1172623-95-8
• Molecular Formula: C₁₂H₂₀N₂O₄
• Molecular Weight: 256.2982
• EINECS: -0
• Mol File: 1172623-95-8.mol

Chemical Properties

• Melting Point: 103-104 °C
• Appearance: /
• Density: 1.096±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 10.55±0.46(Predicted)
• CAS DataBase Reference: tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate(1172623-95-8)
• EPA Substance Registry System: tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate(1172623-95-8)

Safety Data

• Hazardous Substances Data: 1172623-95-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
Tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbamate is used as a reagent in chemical synthesis for its complex structure and functional groups, which allow for various chemical reactions to be performed.
Used in Pharmaceutical Research:
In the pharmaceutical industry, tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbamate is used as a potential precursor in the development of new drugs due to the presence of the carbamate group, which is often associated with biological activity.
Used in Laboratory and Industrial Chemistry:
tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate is employed as a research tool in both laboratory and industrial settings, where its unique properties can be explored for potential applications in various chemical processes.

Upstream product

• 6638-79-5 N,O-dimethylhydroxylamine*hydrochloride 
• 61172-66-5 2-((tert-butoxycarbonyl)amino)pent-4-ynoic acid 
• 6165-75-9 propargyl benzenesulfonate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 71086-42-5 N-(diphenylmethylene)glycine ethyl ester 
• 50428-03-0 D,L-propargylglycine 
• 171922-16-0 ethyl 2-[(diphenylmethylidene)amino]pent-4-ynoate 
• 70569-68-5 N-chloro-N-methoxy-N-methylamine 
• 100860-41-1 ethyl 2-aminopent-4-ynoate 
• 530-62-1 1,1'-carbonyldiimidazole 
• 167904-79-2 methyl (R,S)-2-(N-diphenylmethylidene)aminopent-4-ynoate 

Downstream Products

• 1172623-96-9 (±)-tert-butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate 
• 1207985-07-6 C₁₆H₁₉NO₃ 
• 1172623-98-1 tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbamate 
• 1172623-99-2 tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl]carbamate 
• 951127-25-6 N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester 
• 1226781-87-8 tert-butyl {(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl}carbamate 
• 1226781-44-7 Omarigliptin 

Relevant articles and documents

Evolution of a Manufacturing Route to Omarigliptin, A Long-Acting DPP-4 Inhibitor for the Treatment of Type 2 Diabetes

Development of a convergent synthesis of omarigliptin (MK-3102) suitable for commercial manufacture is described. The target molecule is assembled through a diastereoselective reductive amination of a highly functionalized pyranone with a mesylated pyrazole followed by deprotection of a Boc group. The synthesis of the pyranone relies on three Ru-catalyzed reactions: (1) a DKR reduction of a rac-α-aminoketone to set the two contiguous stereogenic centers, (2) a cycloisomerization of a bis-homopropargylic alcohol to a dihydropyran, and, finally, (3) a Ru-catalyzed oxidation of a pyranol to the desired pyranone. The regioselective synthesis of a N-Boc-1-mesyl pyrazole fragment was achieved via base-promoted mesyl group isomerization to afford 30:1 selectivity. A highlight of the endgame process development is telescoping a Boc deprotection and reductive amination followed by direct crystallization of the penultimate from the reaction mixture. This avoids handling of an unstable, mutagenic 1-mesylpyrazole BSA salt used in the earlier multikilogram deliveries and improves the overall diastereoselectivity and efficiency of the route.

Ternary fused ring substituted six-membered ring derivatives and their use in medicine

The invention relates to a fused tricyclic substituted amino six-membered ring derivative and application thereof in medicine, particularly a fused tricyclic substituted amino six-membered ring derivative shown in a formula (I) or stereoisomers and pharmaceutically acceptable salts or pro-drugs of the derivative, a pharmaceutical composition comprising the derivative and use of the derivative in preparing a dipeptidyl peptidase IV (DPP-IV) inhibitor in medicine, wherein the substituents in the formula (I) are defined as in the description. The formula (I) is shown in the description.

PROCESS FOR THE PREPARATION OF OMARIGLIPTIN

The present invention provides a process for preparing omarigliptin.

AMINO PYRANOID RING DERIVATIVE AND COMPOSITION AND USE THEREOF

The present invention relates to an amino pyran ring derivative and a composition and use thereof, and in particular, to an amino pyran ring derivative represented by general formula (I) or a stereoisomer, a pharmaceutically acceptable salt or a prodrug thereof, a pharmaceutical composition comprising the derivative, and their medical use in the manufacture of a di-peptidyl peptidase IV (DPP-IV) inhibitor, in formula (I) the substituents are defined the same as those in the specification.

Amino 6-membered ring derivative and pharmaceutical applications thereof including the use for manufacturing dipeptidyl peptidase-4(IDPP-IV) inhibitor

The present invention relates to an amino 6-membered ring derivative and pharmaceutical applications thereof, which specifically relates to the amino 6-membered ring derivative represented by the general formula (I) or stereoisomers thereof, pharmaceutically acceptable salts thereof, a prodrug, a pharmaceutical composition comprising the derivative, and the pharmaceutical use for manufacturing dipeptidyl peptidase-4(IDPP-IV) inhibitor, wherein the definition of each substituent in the general formula (I) is the same as described in the specification.

Pyrrole imidazole ring derivative and medical use thereof wherein the compound represented by the general formula (I) has excellent inhibitory effect on and selectivity of dipeptidyl peptidase IV(DPP-IV)

The present invention relates to a pyrrole imidazole ring derivative and medical use thereof, more particularly a pyrrole imidazole ring derivative represented by the general formula (I) or stereoisomers thereof, pharmaceutically acceptable salts thereof, prodrugs, pharmaceutical compositions containing the derivative, and pharmaceutical applications for the preparation of dipeptidyl peptidase IV(DPP-IV) inhibitors, wherein the definitions of all substitution groups in general formula (I) are the same as those defined in the specification.

Aminopyran ring derivative and its composition and application wherein the dipeptidyl peptidase IV (DPP-IV) inhibitor is used for preparing the drugs for treating metabolic diseases

The present invention relates to an aminopyran ring derivative and its composition and application, specifically speaking, relating to the aminopyran ring derivative represented by the general formula (I) or its stereoisomer, pharmaceutically acceptable salt, prodrug, pharmaceutical composition containing the derivative and the preparation of dipeptidyl peptidase IV (DPP-IV) inhibitor for medical use, wherein the definitions of the substituents in the general formula (I) are the same as those defined in the patent specification.

Pyran derivative salt or its salt hydrate and its preparation and use (by machine translation)

The invention relates to a benzopyran derivative salt or its salt hydrate and its preparation and application, and in particular relates to dipeptide kinase - IV inhibitor a pharmaceutically acceptable salt or its salt hydrate, and its preparation method and application, further for the purposes of formula (I) as shown in the salt or its salt hydrate and its preparation method and application. (by machine translation)

SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR

The present application relates to a substituted amino six-membered saturated heteroalicycle represented by formula I as a long-acting DPP-IV inhibitor, a method for preparing the same, a pharmaceutical composition comprising the same, and a use of the same in treating and/or preventing diseases and disorders benefitting from DPP-IV inhibition.

Three-membered fused ring substituted amino six-membered ring derivative and medicine applications thereof relates to a three-membered fused ring substituted amino six-membered ring derivative as shown in the general formula

The present invention relates to a three-membered fused ring substituted amino six-membered ring derivative and medicine applications thereof, and more particularly to a three-membered fused ring substituted amino six-membered ring derivative as shown in the general formula (I) or a stereoisomer of the derivative, a pharmaceutically acceptable salt, a prodrug, a medicinal composition containing the derivative and an application of the derivative to preparation of the medicine, namely a dipeptidyl peptidase IV(DPP-IV) inhibitor, wherein the definitions of the various substituents in the general formula (I) are the same as those in the specification.