69630-50-8

Basic information

• Product Name: D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE
• Synonyms: H-D-ASP(OME)-OME HCL;H-D-ASP(ME)-OME HCL;D-ASPARTIC ACID-1,4-DIMETHYL ESTER HYDROCHLORIDE;D-ASPARTIC ACID DIMETHYL ESTER HCL;D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE;D-ASPARTIC ACID ALPHA,BETA-DIMETHYL ESTER HYDROCHLORIDE;D-ASPARTIC ACID(OME)-OME HCL;DIMETHYL D-ASPARTATE HYDROCHLORIDE
• CAS NO: 69630-50-8
• Molecular Formula: C₆H₁₁NO₄*ClH
• Molecular Weight: 197.62
• EINECS: 1533716-785-6
• Product Categories: Amino Acids Derivatives;Amino ester;Amino hydrochloride
• Mol File: 69630-50-8.mol
• Article Data: 16

Chemical Properties

• Melting Point: 114-119℃
• Appearance: /Solid
• Storage Temp.: −20°C
• Solubility: Methanol (Slightly), Water (Slightly)
• CAS DataBase Reference: D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE(69630-50-8)
• EPA Substance Registry System: D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE(69630-50-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 69630-50-8(Hazardous Substances Data)

Usage

Description

D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE is a white to off-white powder that serves as a synthetic intermediate in the development of pharmaceutical compounds. It is particularly used in the synthesis of MK-7246 (M425045), a potent and selective CRTH2 antagonist that is being explored for its potential in treating respiratory diseases.

Uses

Used in Pharmaceutical Industry:
D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE is used as a synthetic intermediate for the development of MK-7246 (M425045), a potent and selective CRTH2 antagonist. D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE is being investigated for its potential therapeutic effects in the treatment of respiratory diseases, making it a valuable component in the pharmaceutical industry's efforts to create new and effective medications for respiratory conditions.

InChI:InChI=1/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m1./s1

Upstream product

• 617-55-0 dimethyl (S)-malate 
• 67-56-1 methanol 
• 1783-96-6 (2R)-aspartic acid 
• 75-77-4 chloro-trimethyl-silane 

Downstream Products

• 151521-94-7 dimethyl (R)-N-(triphenylmethyl)aspartate 
• 130622-08-1 (2R)-2-tert-butoxycarbonylamino-succinic acid dimethyl ester 
• 130622-08-1 dimethyl N-tert-butoxycarbonyl-L-aspartate 
• 1584725-20-1 C₁₃H₁₅NO₄ 
• 155069-71-9 Dimethyl D-N-benzylaspartate 
• 1414915-97-1 (R)-dimethyl-2-(4-((4-methoxy-2,3,6-trimethylphenylsulfonamido)methyl)benzylamino)succinate 
• 616866-44-5 (2R)-N-(p-toluenesulfonyl)-aspartic acid dimethyl ester 
• 1218918-76-3 dimethyl (2R)-2-[[(4-fluorophenyl)sulfonyl]amino]-butanedioate 

Relevant articles and documents

2-(2-Hydroxyethyl)piperazine derivatives as potent human carbonic anhydrase inhibitors: Synthesis, enzyme inhibition, computational studies and antiglaucoma activity

Targeting Carbonic Anhydrases (CAs) represents a strategy to treat several diseases, from glaucoma to cancer. To widen the structure-activity relationships (SARs) of our series of piperazines endowed with potent human carbonic anhydrase (hCA) inhibition, a new series of chiral piperazines carrying a (2-hydroxyethyl) group was prepared. The Zn-binding function, the 4-sulfamoylbenzoyl moiety, was connected to one piperazine N-atom, while the other nitrogen was decorated with alkyl substituents. In analogy to the approach used for the synthesis of the previously reported series, the preparation of the new compounds started with (R)- and (S)-aspartic acid. A partial racemization occurred during the synthesis. In order to overcome this problem, other chemical strategies were investigated. The inhibitory activity of the new polar derivatives against four hCAs isoforms I, II, IV and IX using a stopped flow CO2 hydrase assay was determined. Some compounds showed potency in the nanomolar range and a preference for inhibiting hCA IX.

Preparation method of nitrogen-substituted aspartic acid

The invention discloses a preparation method of nitrogen-substituted aspartic acid, a nitrogen-substituted aspartic acid compound has the structural formula as shown in the specification, wherein R1 is alkyl, and R2 is an amino protecting group, and the preparation method can be used for preparation of the nitrogen-substituted aspartic acid from the nitrogen-substituted aspartic acid compound so as to reduce the cost of preparing the nitrogen-substituted aspartic acid and enables the nitrogen-substituted aspartic acid to be suitable for industrial production.

Preparation method of sitagliptin intermediate

The invention discloses a preparation method of a sitagliptin intermediate and belongs to the field of medicine synthesis. The invention provides a preparation method of a compound 2; the compound 2 is prepared without the need of a catalyst and a resolving agent which have a high price and harsh low-temperature conditions, so that the cost is reduced to the great extent; the preparation method has the advantages of simple technology, high purity and high yield and is suitable for mass production.