N-ACETYL-ALA-ALA-ALA

Base Information

• Chemical Name: N-ACETYL-ALA-ALA-ALA
• CAS No.: 19245-85-3
• Molecular Formula: C11H19N3O5
• Molecular Weight: 273.289
• Hs Code.: 29241900
• European Community (EC) Number: 242-912-3
• DSSTox Substance ID: DTXSID30172840
• Nikkaji Number: J242.751F
• Wikidata: Q83042929
• Mol file: 19245-85-3.mol

Synonyms:Alanine,N-[N-(N-acetyl-L-alanyl)-L-alanyl]-, L- (8CI);L-Alanine,N-[N-(N-acetyl-L-alanyl)-L-alanyl]-;Acetyltrialanine;N-Acetyl-L-alanyl-L-alanyl-L-alanine;N-Acetyltrialanine;

Chemical Property of N-ACETYL-ALA-ALA-ALA

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.43E-20mmHg at 25°C
• Melting Point: 248 °C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 685.2 °C at 760 mmHg
• PKA: 3.43±0.10(Predicted)
• Flash Point: 368.2 °C
• PSA: 124.60000
• Density: 1.221 g/cm³
• LogP: -0.22230
• Storage Temp.: −20°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 273.13247072
• Heavy Atom Count: 19
• Complexity: 383

Purity/Quality:

98% ^*data from raw suppliers

Ac-Ala-Ala-Ala-OH ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-ACETYL-ALA-ALA-ALA

There total 4 articles about N-ACETYL-ALA-ALA-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:

Phosphoric acid 2-[(S)-1-((S)-2-acetylamino-propionylamino)-ethyl]-4-methyl-oxazol-5-yl ester diphenyl ester → Ac-Ala3OH (19245-85-3)

Guidance literature:

With water-d2; trifluoroacetic acid; In [D₃]acetonitrile; at 60 ℃; for 0.5h;

DOI:10.1021/jo00113a042

Reference yield:

({2-[(S)-1-((S)-2-Acetylamino-propionylamino)-ethyl]-4-methyl-oxazol-5-yloxy}-dimethylamino-methylene)-dimethyl-ammonium; chloride → Ac-Ala3OH (19245-85-3)

Guidance literature:

With water-d2; trifluoroacetic acid; In [D₃]acetonitrile; for 3h; Ambient temperature;

DOI:10.1021/jo00113a042

Reference yield:

N-acetyltri-L-alanyl methyl ester (26910-17-8) → Ac-Ala3OH (19245-85-3)

Guidance literature:

With dmap; sodium hydroxide; In pyridine; Ambient temperature;

upstream raw materials:

N-acetyltri-L-alanyl methyl ester

Downstream raw materials:

Ac-AAAYGGFM

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