(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: (R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
• CAS No.: 4043-91-8
• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.216
• UNII: QKM9FLW7MU
• DSSTox Substance ID: DTXSID90424978
• Nikkaji Number: J253.897K
• Wikidata: Q58492039
• ChEMBL ID: CHEMBL1371152
• Mol file: 4043-91-8.mol

Synonyms:(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid;4043-91-8;3-hydroxy-D-kynurenine;QKM9FLW7MU;(2R)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid;3-Hydroxykynurenine, (R)-;Alanine, 3-(3-hydroxyanthraniloyl)-, D-;UNII-QKM9FLW7MU;CHEMBL1371152;SCHEMBL17641540;DTXSID90424978;(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid;AKOS016010505;AT37536;NCGC00016606-01;CAS-2147-61-7;Q58492039;(R)-alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid;(alphaR)-alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-, (R)-;Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-, (alphaR)-;(.ALPHA.R)-.ALPHA.,2-DIAMINO-3-HYDROXY-.GAMMA.-OXOBENZENEBUTANOIC ACID;BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-3-HYDROXY-.GAMMA.-OXO-, (.ALPHA.R)-;BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-3-HYDROXY-.GAMMA.-OXO-, (R)-

Chemical Property of (R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

Chemical Property:

• Boiling Point: 519.3±50.0 °C(Predicted)
• PKA: 2.16±0.23(Predicted)
• Density: 1.461±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

98.5% ^*data from raw suppliers

(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
• Isomeric SMILES: C1=CC(=C(C(=C1)O)N)C(=O)C[C@H](C(=O)O)N

Technology Process of (R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

There total 6 articles about (R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid 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:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01148a125

Reference yield:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; Hydrogenation;

Reference yield:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With phosphorus; hydrogen iodide;

upstream raw materials:

3-hydroxykynurenine

Downstream raw materials:

xanthommatin

2-amino-3-hydroxy-4-methylbenzoic acid

L-alanin

Refernces