BOC-L-Alanine benzyl ester

Base Information

• Chemical Name: BOC-L-Alanine benzyl ester
• CAS No.: 51814-54-1
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.336
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00450288
• Nikkaji Number: J1.604.044D
• Wikidata: Q72509666
• Mol file: 51814-54-1.mol

Synonyms:BOC-L-Alanine benzyl ester;51814-54-1;Boc-Ala-OBzl;(S)-Benzyl 2-((tert-butoxycarbonyl)amino)propanoate;benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;N-Boc-L-alanine Benzyl Ester;MFCD00190775;Boc-Ala-OBn;SCHEMBL7512116;benzyl (2S)-2-{[(tert-butoxy)carbonyl]amino}propanoate;DTXSID00450288;KZNCFIIFMFCSHL-NSHDSACASA-N;AKOS015839305;AKOS015920044;CS-W022604;DS-1103;HY-W041864;Benzyl (tert-butoxycarbonyl)-L-alaninate;n-(tert-butoxycarbonyl)alanine benzyl ester;AM20040612;Benzyl N2-(tert-butoxycarbonyl)-L-alaninate;Boc-L-Alanine benZyl ester (Boc-L-Ala-OBZl);(S)-benzyl 2-(tert-butoxycarbonylamino)propanoate;Q-101550;Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate

Chemical Property of BOC-L-Alanine benzyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 25.5-26℃ (ligroine )
• Refractive Index: 1.505
• Boiling Point: 392.675 °C at 760 mmHg
• PKA: 11.19±0.46(Predicted)
• Flash Point: 191.283 °C
• PSA: 64.63000
• Density: 1.1 g/cm³
• LogP: 3.03390
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

Boc-L-AlanineBenzylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Technology Process of BOC-L-Alanine benzyl ester

There total 17 articles about BOC-L-Alanine benzyl ester 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-N-Boc-Ala (15761-38-3) + benzyl bromide (100-39-0) → N-(tert-butoxycarbonyl)-L-alanine benzyl ester (126400-95-1,51814-54-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 0 - 20 ℃; for 19h; Further stages;

DOI:10.1002/chem.202005351

Reference yield: 91.0%

L-N-Boc-Ala (15761-38-3) + benzyl alcohol (100-51-6,185532-71-2) → N-(tert-butoxycarbonyl)-L-alanine benzyl ester (126400-95-1,51814-54-1)

Guidance literature:

With 1-(tert-butoxy)-2-(tert-butoxy)carbonyl-1,2-dihydroisoquinoline; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2004.12.131

Reference yield: 91.0%

C29H30N2O6Se → N-(tert-butoxycarbonyl)-L-alanine benzyl ester (126400-95-1,51814-54-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 0.5h; Heating;

DOI:10.1055/s-1997-965

upstream raw materials:

chloroformic acid ethyl ester

benzyl bromide

N-(tert-butoxycarbonyl)-(S)-alanine cesium salt

(R)-N-(tert-butoxycarbonyl)-3-iodoalanine benzyl ester

Downstream raw materials:

C₂₀H₂₉NO₆

H-Ala-OBzl

L-alanine benzyl ester hydrochloride

N-(N-α-hydroxyisovaleryl-L-leucyl)-L-alanine benzyl ester