(S)-3,4-Dcpg

Base Information

• Chemical Name: (S)-3,4-Dcpg
• CAS No.: 201730-11-2
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.18200
• European Community (EC) Number: 633-834-4
• UNII: W3Y53JA9W3
• ChEMBL ID: CHEMBL143210
• DSSTox Substance ID: DTXSID60581628
• Nikkaji Number: J739.438A
• Wikidata: Q5204539
• Wikipedia: DCPG
• Mol file: 201730-11-2.mol

Synonyms:(S)-3,4-DCPG;201730-11-2;DCPG;1,2-Benzenedicarboxylic acid, 4-[(S)-aminocarboxymethyl]-;4-[(S)-Amino(carboxy)methyl]benzene-1,2-dicarboxylic acid;4-[(S)-amino(carboxy)methyl]phthalic acid;CHEMBL143210;(S)-4-(AMINO(CARBOXY)METHYL)PHTHALIC ACID;C10H9NO6;(S)-3,4-dicarboxylphenylglycine;HVG;(s)-3,4dicarboxyphenylglycine;3,4-Dcpg, (S)-;GTPL1407;SCHEMBL8268571;W3Y53JA9W3;DTXSID60581628;3,4-DCPG-(S);HMS3267L19;HMS3412E16;HMS3676E16;UBP 1109;BDBM50138783;HB0044;AKOS024456517;AT33390;(S)-3,4-Dicarboxyphenylglycine (DCPG);HY-107516;4-((S)-Amino-carboxy-methyl)-phthalic acid;CS-0028683;J-013084;Q5204539;4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]phthalic acid;4-[(S)-Aminocarboxymethyl]-1,2-benzenedicarboxylic acid;1,2-Benzenedicarboxylic acid, 4-(aminocarboxymethyl)-, (S)-

Chemical Property of (S)-3,4-Dcpg

Chemical Property:

• Boiling Point: 531.0±50.0 °C(Predicted)
• PKA: 1.59±0.10(Predicted)
• PSA: 137.92000
• Density: 1.634±0.06 g/cm3(Predicted)
• LogP: 0.86770
• Storage Temp.: Desiccate at RT
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 239.04298701
• Heavy Atom Count: 17
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

(S)-3,4-DCPG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)C(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
• Uses: (S)-3,4-DCPG is a potent and selective mGluR-8a agonist.

Technology Process of (S)-3,4-Dcpg

There total 2 articles about (S)-3,4-Dcpg which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-(amino-cyano-methyl)-phthalic acid → (+/-)-3,4-Dicarboxyphenylglycine (201730-11-2,201730-10-1)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1111/j.1476-5381.1996.tb15312.x

Reference yield:

3,4-dicarboxybenzaldehyde → (+/-)-3,4-Dicarboxyphenylglycine (201730-11-2,201730-10-1)

Guidance literature:

Multi-step reaction with 2 steps

2: 6N HCl / H₂O

With hydrogenchloride; In water; 1: Addition / 2: Hydrolysis;

DOI:10.1111/j.1476-5381.1996.tb15312.x