(S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate

Base Information

• Chemical Name: (S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate
• CAS No.: 26582-93-4
• Molecular Formula: C₁₇H₂₄N₂O₅
• Molecular Weight: 336.388
• DSSTox Substance ID: DTXSID201162316

Synonyms:(S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate;DTXSID201162316;N-[(1,1-Dimethylethoxy)carbonyl]-D-phenylalanylglycine methyl ester;26582-93-4

Chemical Property of (S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 336.16852187
• Heavy Atom Count: 24
• Complexity: 439

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)OC

Technology Process of (S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate

There total 4 articles about (S)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)acetate 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: 86.0%

Boc-D-Phe-OH (18942-49-9) + glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) → (R)-methyl 2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetate (26582-93-4)

Guidance literature:

Boc-D-Phe-OH; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 0.166667h;

glycine ethyl ester hydrochloride; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1016/j.tetlet.2014.04.079

Reference yield: 33.0%

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + 2-tert-Butoxycarbonylamino-3-phenyl-propionic acid (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl ester (74293-09-7) → N-(tert-butoxycarbonyl)-L-phenylalanine (4530-18-1,13734-34-4,18942-49-9) + (2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-acetic acid methyl ester (7625-57-2,26582-93-4,106572-02-5)

Guidance literature:

With 4-methyl-morpholine; In N,N-dimethyl-formamide; at 38 ℃; for 96h;

DOI:10.1016/S0008-6215(00)81893-5

Reference yield: 27.0%

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + 2,3,4,6-tetra-O-benzyl-1-O-(N-tert-butoxycarbonyl-L-phenylalanyl)-β-D-glucopyranose (35909-82-1,74293-08-6) → N-(tert-butoxycarbonyl)-L-phenylalanine (4530-18-1,13734-34-4,18942-49-9) + (2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-acetic acid methyl ester (7625-57-2,26582-93-4,106572-02-5) + 2,3,4,6-tetra-O-benzyl-D-glucopyranose (4132-28-9,4291-69-4,6386-24-9,6564-72-3,59531-24-7,69257-52-9,78184-89-1,78609-16-2,78609-17-3,78609-18-4,96553-53-6,104111-61-7,131347-08-5)

Guidance literature:

With 4-methyl-morpholine; In N,N-dimethyl-formamide; at 38 ℃; for 96h;

DOI:10.1016/S0008-6215(00)81893-5

upstream raw materials:

glycine ethyl ester hydrochloride

2,3,4,6-tetra-O-benzyl-1-O-(N-tert-butoxycarbonyl-L-phenylalanyl)-β-D-glucopyranose

2-tert-Butoxycarbonylamino-3-phenyl-propionic acid (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl ester

Boc-D-Phe-OH

Downstream raw materials:

Boc-D-phe-glyOH

(R)-methyl 2-(2-(tert-butoxycarbonyl(methyl)amino)-N-methyl-3-phenylpropanamido)acetate

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