Thr-Ala

Base Information

• Chemical Name: Thr-Ala
• CAS No.: 56217-50-6
• Molecular Formula: C7H14N2O4
• Molecular Weight: 190.2
• DSSTox Substance ID: DTXSID401315169
• Nikkaji Number: J2.313.379B
• Wikidata: Q27144933
• Metabolomics Workbench ID: 78976
• ChEMBL ID: CHEMBL1221951
• Mol file: 56217-50-6.mol

Synonyms:H-THR-ALA-OH;Thr-Ala;56217-50-6;L-THREONYL-L-ALANINE;threonylalanine;CHEBI:74824;(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid;(S)-2-((2S,3R)-2-Amino-3-hydroxybutanamido)Propanoic acid;TA dipeptide;Threoninylalanine;Threonyl-alanine;T-A Dipeptide;Threoninyl-Alanine;L-Thr-L-Ala;L-Threoninyl-L-Alanine;Threonine Alanine dipeptide;Threonine-Alanine dipeptide;SCHEMBL5791410;CHEMBL1221951;DTXSID401315169;HY-P4533;MFCD00038589;AKOS006272603;CS-0654958;Q27144933

Chemical Property of Thr-Ala

Chemical Property:

• Vapor Pressure: 7.25E-13mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 517.3°C at 760 mmHg
• Flash Point: 266.7°C
• PSA: 112.65000
• Density: 1.294g/cm³
• LogP: -0.62500
• Storage Temp.: -15°C
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 190.09535693
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Thr-Ala-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Thr-Ala

There total 3 articles about Thr-Ala 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: 88.0%

Fmoc-Thr-Ala-OH (116857-37-5) → H-Thr-Ala-OH (56217-50-6)

Guidance literature:

With piperidine; for 0.5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86124-X

Reference yield:

N-(N-benzyloxycarbonyl-L-allothreonyl)-D-alanine benzyl ester (86961-82-2) → N-L-allothreonyl-D-alanine (56217-50-6)

Guidance literature:

With palladium; Hydrogenation;

DOI:10.1021/ja01592a022

Reference yield:

N-(N-benzyloxycarbonyl-LS-threonyl)-D-alanine benzyl ester (86961-82-2) → N-LS-threonyl-D-alanine (56217-50-6)

Guidance literature:

With palladium; Hydrogenation;

DOI:10.1021/ja01592a022

upstream raw materials:

N-(N-benzyloxycarbonyl-L-allothreonyl)-D-alanine benzyl ester

N-(N-benzyloxycarbonyl-L_S-threonyl)-D-alanine benzyl ester

Fmoc-Thr-Ala-OH

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