L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-

Base Information

• Chemical Name: L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
• CAS No.: 60209-59-8
• Molecular Formula: C13H24N2O5
• Molecular Weight: 288.344
• DSSTox Substance ID: DTXSID40466646
• Nikkaji Number: J245.978G
• Wikidata: Q82293246

Synonyms:60209-59-8;L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-;(S)-2-((S)-2-((tert-Butoxycarbonyl)amino)propanamido)-3-methylbutanoic acid;Boc-Ala-Val-OH;N-Boc-L-alanyl-L-valine;(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic Acid;SCHEMBL4389101;DTXSID40466646;RXWAYSHEJZXKQQ-IUCAKERBSA-N;MFCD32898809;(tert-Butoxycarbonyl)-L-alanyl-L-valine;(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}propanamido]-3-methylbutanoic acid

Chemical Property of L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-

Chemical Property:

• Melting Point: 155 °C
• Boiling Point: 493.3±30.0 °C(Predicted)
• PSA: 111.71000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 2.16970
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 288.16852187
• Heavy Atom Count: 20
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

N-Boc-L-alanyl-L-valine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-

There total 22 articles about L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl- 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: 94.0%

Boc-L-alanyl-L-valine methyl ester (95083-31-1,19794-07-1) → (N-tert-butoxycarbonyl-L-alanyl)-L-valine (60209-59-8)

Guidance literature:

With methanol; water; caesium carbonate; at 20 ℃; for 18h;

DOI:10.1002/ejoc.202100615

Reference yield: 90.0%

picoly N-Boc-L-alanyl-L-valinate (1361400-98-7) → (N-tert-butoxycarbonyl-L-alanyl)-L-valine (60209-59-8)

Guidance literature:

With magnesium; In methanol; at 20 ℃; for 4h;

DOI:10.1055/s-0031-1290092

Reference yield: 89.0%

Boc-L-Ala-L-Val-OBzl (116798-35-7) → (N-tert-butoxycarbonyl-L-alanyl)-L-valine (60209-59-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water; at 20 ℃;

DOI:10.3987/com-02-s63

upstream raw materials:

L-valine

2-tert-Butoxycarbonylamino-propionic acid 4-nitro-phenyl ester

(S)-2-((S)-2-tert-Butoxycarbonylamino-propionylamino)-3-methyl-butyric acid 1,1,3,3-tetraoxo-1λ⁶,3λ⁶-[1,3]dithian-2-ylmethyl ester

Boc-L-Ala-L-Val-OBzl

Downstream raw materials:

Boc-Ala-Val-Phe-CH(OH)CF₃

Boc-L-Ala-L-Val-L-Amp-OtBu

(CH₃)2C₇H₃N₂C₆H₃OHCONHCHCH₃CONH(CH)2(CH₃)2CONHCHCH₃CO₂CH₃

cyclo(D-PhSeAla-L-Ala-L-Val-L-Amp)

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