L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester

Base Information

• Chemical Name: L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester
• CAS No.: 10144-64-6
• Molecular Formula: C18H18N2O6
• Molecular Weight: 358.351
• DSSTox Substance ID: DTXSID501158300
• Nikkaji Number: J427.869K
• Mol file: 10144-64-6.mol

Synonyms:SCHEMBL8433557;DTXSID501158300;10144-64-6;L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester

Chemical Property of L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 358.11648630
• Heavy Atom Count: 26
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Technology Process of L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester

There total 5 articles about L-Alanine, N-[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl 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: 78.0%

4-nitrobenzyl chloride (619-73-8) + N-Cbz-Ala (1142-20-7) → Z-L-Ala 4-nitrobenzyl ester (10144-64-6)

Guidance literature:

With dmap; TEA; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)81083-8

Reference yield: 65.0%

N-Cbz-Ala (1142-20-7) + 1-bromomethyl-4-nitro-benzene (100-11-8) → Z-L-Ala 4-nitrobenzyl ester (10144-64-6)

Guidance literature:

With triethylamine; In ethyl acetate; for 8.5h; Heating;

DOI:10.1039/b004180g

Reference yield:

N-Cbz-Ala (1142-20-7) + 4-nitrobenzyl tosylate (4450-68-4) → Z-L-Ala 4-nitrobenzyl ester (10144-64-6)

Guidance literature:

Multistep reaction; (i) NaOMe, MeOH, (ii) /BRN= 2163703/, DMF, acetone;

DOI:10.1021/jo00830a040

upstream raw materials:

4-nitrobenzyl chloride

N-Cbz-Ala

4-nitrobenzyl tosylate

Isopropenyl chloroformate

Downstream raw materials:

(S)-2-Benzyloxycarbonylamino-propionic acid 9H-fluoren-9-ylmethyl ester

N-Cbz-Ala

Z-(S)-Ala-(S)-Leu-NH₂

C₃₀H₃₁NO₆

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