CID 6997289

Base Information

• Chemical Name: CID 6997289
• CAS No.: 3918-94-3
• Molecular Formula: C10H20N2O3
• Molecular Weight: 216.28
• Hs Code.: 2924199090
• Mol file: 3918-94-3.mol

Synonyms:

Chemical Property of CID 6997289

Chemical Property:

• Vapor Pressure: 6.29E-08mmHg at 25°C
• Melting Point: 253-254 °C(Solv: ethanol (64-17-5))
• Boiling Point: 411.6°C at 760 mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 202.7°C
• PSA: 92.42000
• Density: 1.084g/cm³
• LogP: 1.28630
• Storage Temp.: −20°C
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.14739250
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99%, ^*data from raw suppliers

Valylvaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C(C)C)C(=O)[O-])[NH3+]
• Isomeric SMILES: CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH3+]
• Uses: H-VAL-VAL-OH is a dipeptide of the amino acid valine. Valine is an essential amino acid that is not synthesized in the body and it consumed from foods such as beans, dairy products and soy products.

Technology Process of CID 6997289

There total 46 articles about CID 6997289 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: 100.0%

(N-tert-butoxycarbonyl-L-valyl)-L-valine (69209-72-9,108334-65-2,69209-73-0) → Val-Val (3918-94-3)

Guidance literature:

With water; at 170 ℃; for 0.05h; Microwave irradiation;

DOI:10.1016/j.tetlet.2008.09.027

Reference yield: 80.0%

N-benzyloxycarbonyl-L-valyl-L-valine (19542-54-2) → Val-Val (3918-94-3)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; at 25 ℃; for 3h; under 1551.49 Torr;

DOI:10.1021/jm990226g

Reference yield: 70.0%

methyl N--L-valinate (1803-86-7) → Val-Val (3918-94-3)

Guidance literature:

methyl N--L-valinate; With sodium hydroxide; In ethanol; water; for 5h;

With trifluoroacetic acid; In ethanol; water; for 1h;

DOI:10.1134/S1070428012100065

upstream raw materials:

N-benzyloxycarbonyl-L-valyl-L-valine

N-(N,N-phthaloyl-L-valyl)-L-valine

Pipoc-Val-Val

Cbz-L-val-L-val-Cbz

Downstream raw materials:

N-(N-glycyl-L-valyl)-L-valine

(S)-2-[(S)-2-(2,3-Dimethoxy-benzoylamino)-3-methyl-butyrylamino]-3-methyl-butyric acid

benzenesulfonamide

carbon dioxide

Refernces

• 1、 Izgu, Enver Cagri,Bj?rkbom, Anders,Kamat, Neha P.,Lelyveld, Victor S.,Zhang, Weicheng,Jia, Tony Z.,Szostak, Jack W.. "N-Carboxyanhydride-Mediated Fatty Acylation of Amino Acids and Peptides for Functionalization of Protocell Membranes". supporting information. p. 16669 - 16676. Retrieved 2017/01/10.
• 2、 Sorokina, Yu. M.,Sladkova,Popova,Shadyro,Knizhnikov. "Synthesis of dipeptides based on valine and threonine". . p. 1297 - 1301. Retrieved 2013/02/21.