dl-Alanyl-dl-valine

Base Information

• Chemical Name: dl-Alanyl-dl-valine
• CAS No.: 1999-46-8
• Molecular Formula: C₈H₁₆N₂O₃
• Molecular Weight: 188.227
• Hs Code.: 2924199090
• NSC Number: 89659,89603,206294
• DSSTox Substance ID: DTXSID00941964
• Mol file: 1999-46-8.mol

Synonyms:dl-Alanyl-dl-valine;1999-46-8;2-(2-aminopropanamido)-3-methylbutanoic acid;Alanylvaline (DL);2-(2-aminopropanoylamino)-3-methylbutanoic acid;H-DL-Ala-DL-Val-OH;N-(2-Aminopropanoyl)valine;Valine, alanyl-;3303-46-6;NSC89603;d,l-alanyl-d,l-valine;D-ALANYL-D-VALINE;L-Valine, N-L-alanyl-;NCIOpen2_001297;SCHEMBL595438;N-(2-Aminopropanoyl)valine #;DTXSID00941964;CHEBI:182838;BAA99946;NSC89659;MFCD00038163;NSC 89659;NSC-89603;NSC-89659;NSC206294;AKOS009159163;NSC-206294;N-(2-Amino-1-hydroxypropylidene)valine;A0192;FT-0634768;FT-0738899;DL-Alanyl-DL-valine (H-DL-Ala-DL-Val-OH);D88227;A879899;J-018983

Chemical Property of dl-Alanyl-dl-valine

Chemical Property:

• Vapor Pressure: 1.4E-07mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 401.8 °C at 760 mmHg
• PKA: 3.18±0.10(Predicted)
• Flash Point: 196.8 °C
• PSA: 92.42000
• Density: 1.134 g/cm³
• LogP: 0.65020
• Storage Temp.: −20°C
• XLogP3: -3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.11609238
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

DL-Alanyl-DL-valine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)C(C)N

Technology Process of dl-Alanyl-dl-valine

There total 19 articles about dl-Alanyl-dl-valine 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: 97.0%

→ L-alanyl-L-valine (1472-66-8,1999-46-8,3303-45-5,3303-46-6,61427-69-8,99146-59-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 25 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)95763-0

Reference yield:

C23H25N2O5Pol → L-alanyl-L-valine (1472-66-8,1999-46-8,3303-45-5,3303-46-6,61427-69-8,99146-59-5)

Guidance literature:

C₂₃H₂₅N₂O₅Pol; With dimethylsulfoxonium methylide; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere;

With water; In tetrahydrofuran; Inert atmosphere;

DOI:10.1016/j.tet.2012.12.052

Reference yield:

Cbz-L-ala-L-val-Cbz (66880-97-5) → L-alanyl-L-valine (1472-66-8,1999-46-8,3303-45-5,3303-46-6,61427-69-8,99146-59-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 24h; under 4654.33 Torr;

DOI:10.1039/b509920j

upstream raw materials:

N-(2-bromo-propionyl)-valine

ammonia

D-Val-OH

benzyloxycarbonyl-alanyl-valine

Downstream raw materials:

N-(N-benzoyl-alanyl)-valine

TrpAlaValGlyHisLeuMetNH2

(S)-2-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-3-methyl-butyric acid; compound with dicyclohexyl-amine

Refernces

• 1、 Spinella, Mariagiovanna,De Marco, Rosaria,Belsito, Emilia L.,Leggio, Antonella,Liguori, Angelo. "The dimethylsulfoxonium methylide as unique reagent for the simultaneous deprotection of amino and carboxyl function of N-Fmoc-α-amino acid and N-Fmoc-peptide esters". . p. 2010 - 2016. Retrieved 2013/03/13.
• 2、 -. "DIPEPTIDE-CONTAINING COMPOSITION FOR ORAL ADMINISTRATION". Page/Page column 6-7. . Retrieved 2008/12/06.