361442-01-5

Basic information

• Product Name: [(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-diMethylethyl ester CarbaMic acid
• Synonyms: [(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-diMethylethyl ester CarbaMic acid;Saxagliptin intermediate 6;tert-Butyl[(1S)-2-[(1S,3S,5S)-3-carbaMoyl-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadaMantan-1-yl)-2-oxoethyl]carbaMate;CarbaMic acid, N-[(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-, 1,1-diMethylethyl ester
• CAS NO: 361442-01-5
• Molecular Formula: C₂₃H₃₅N₃O₅
• Molecular Weight: 432.53316
• EINECS: 1312995-182-4
• Mol File: 361442-01-5.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 670.767 °C at 760 mmHg
• Flash Point: 359.467 °C
• Appearance: /
• Density: 1.341
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.61
• PKA: 11.45±0.46(Predicted)
• CAS DataBase Reference: [(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-diMethylethyl ester CarbaMic acid(CAS DataBase Reference)
• NIST Chemistry Reference: [(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-diMethylethyl ester CarbaMic acid(361442-01-5)
• EPA Substance Registry System: [(1S)-2-[(1S,3S,5S)-3-(aMinocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-diMethylethyl ester CarbaMic acid(361442-01-5)

Safety Data

• Hazardous Substances Data: 361442-01-5(Hazardous Substances Data)

Usage

General Description

The chemical compound "[(1S)-2-[(1S,3S,5S)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-1,1-dimethylethyl ester carbamic acid" is a complex molecule with a long and detailed name. It contains a carbamic acid functional group and a number of substituted cycloalkane and azabicyclo compounds. The presence of the aminocarbonyl group and the tricyclo functional group indicates that this compound may have pharmaceutical applications, potentially as a drug or as a reagent in organic synthesis. The compound's complex structure and various functional groups suggest it may have a wide range of potential biological activities and chemical reactivity.

InChI:InChI=1/C23H35N3O5/c1-21(2,3)31-20(29)25-17(19(28)26-15-5-14(15)6-16(26)18(24)27)22-7-12-4-13(8-22)10-23(30,9-12)11-22/h12-17,30H,4-11H2,1-3H3,(H2,24,27)(H,25,29)/t12?,13?,14-,15-,16-,17+,22?,23?/m0/s1

Upstream product

• 361442-00-4 (αS)-α-[[(1,1-dimethylethoxy)carbonyl]-amino]-3-hydroxytricyclo[3.3.1.1^3,7]decane-1-acetic acid 
• 361440-69-9 (2S,4S,5S)-4,5-methano-L-proline carboxylamide trifluoroacetate 
• 709031-39-0 (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride 
• 700376-57-4 (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide 
• 30074-09-0 α-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid 
• 709031-35-6 dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester 
• 709031-29-8 (αS)-α-amino-3-hydroxytricyclo[3.3.1.1^3,7]decane-1-acetic acid 
• 128665-98-5 α-hydroxytricyclo[3.3.1.1^3,7]decane-1-acetic acid methyl ester 
• 709031-28-7 3-hydroxy-α-oxotricyclo [3.3.1.1^3,7]decane-1-acetic acid 
• 98-79-3 L-Pyroglutamic acid 
• 90104-21-5 1-(tert-butoxycarbonyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid 
• 709031-34-5 dichloro-(tricyclo[3.3.1.1^3,7]decan-1-yl)acetic acid methyl ester 
• 768-90-1 1-Adamantyl bromide 
• 197142-36-2 (1S,3S,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid 

Downstream Products

• 1564265-93-5 saxagliptin 
• 709031-78-7 Saxagliptin hydrochloride 
• 709031-43-6 3-cyano-(αS)-α-(3-hydroxytricyclo[3.3.1.1^3,7]dec-1-yl)-β-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid 1,1-dimethylethyl ester 

Relevant articles and documents

Method for preparing saxagliptin intermediate

The invention provides a method for preparing a saxagliptin intermediate 2 as shown in the specification. An existing process is improved by using the method, so that the yield and purity of a productare greatly increased, in addition, it is convenient realize aftertreatment, and the method is particularly suitable for industrial production.

Method for synthesizing Saxagliptin and intermediate

A method for synthesizing Saxagliptin and its intermediate is disclosed. According to the method, propylphosphonic anhydride is used in a peptide coupling reaction and a dehydration reaction of formamide, thus reducing side reaction of racemization and decreasing toxicity of aftertreatment; and ethylene glycol diethyl ether is preferably used as a solvent in the dehydration reaction of formamide, thus increasing reaction temperature of propylphosphonic anhydride dehydration and shortening reaction time so as to reduce side reaction of racemization.

Protected amino hydroxy adamantane carboxylic acid and process for its preparation

Dipeptidyl peptidase IV (DP 4) inhibiting compounds are provided. The provided compounds can be used for treating diabetes and related diseases, especially Type II diabetes, and other diseases as set out herein, employing such DP 4 inhibitor or a combination of such DP 4 inhibitor and one or more of another antidiabetic agent such as metformin, glyburide, troglitazone, pioglitazone, rosiglitazone and/or insulin and/or one or more of a hypolipidemic agent and/or anti-obesity agent and/or other therapeutic agent.