2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-methyl ester

Base Information

• Chemical Name: 2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-methyl ester
• CAS No.: 127605-37-2
• Molecular Formula: C₁₇H₂₃NO₆
• Molecular Weight: 337.373
• DSSTox Substance ID: DTXSID80555083
• Mol file: 127605-37-2.mol

Synonyms:Z-(MeO)-Asp-OtBu;60079-12-1;2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-methyl ester;127605-37-2;1-O-tert-butyl 4-O-methyl 2-(phenylmethoxycarbonylamino)butanedioate;1-tert-Butyl 4-methyl 2-(benzyloxycarbonylamino)succinate;DTXSID80555083;BCP26071;BS-33456;A805719;1-tert-Butyl 4-methyl N-[(benzyloxy)carbonyl]aspartate;1-(tert-butyl) 4-methyl ((benzyloxy)carbonyl)-L-aspartate;O1-tert-butyl O4-methyl 2-(phenylmethoxycarbonylamino)butanedioate;L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) 4-methyl ester

Chemical Property of 2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-methyl ester

Chemical Property:

• Boiling Point: 459.3±45.0 °C(Predicted)
• PSA: 94.42000
• Density: 1.161±0.06 g/cm3(Predicted)
• LogP: 2.39060
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 337.15253745
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1

Technology Process of 2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-methyl ester

There total 3 articles about 2-(phenylmethoxycarbonylamino)butanedioic acid O1-tert-butyl ester O4-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:

benzyl chloroformate (501-53-1,94274-21-2) → α-t-butyl β-methyl N-Z-(RS)-aspartate (127605-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate

2: aq. sulphuric acid

With sulfuric acid; potassium carbonate;

Reference yield:

β-methyl N-benzyloxycarbonyl-DL-aspartate (4276-08-8) + isobutene (115-11-7,15220-85-6) → α-t-butyl β-methyl N-Z-(RS)-aspartate (127605-37-2)

Guidance literature:

With sulfuric acid;

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + isobutene (115-11-7,15220-85-6) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → α-t-butyl β-methyl N-Z-(RS)-aspartate (127605-37-2)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(01)85140-1

upstream raw materials:

benzyl chloroformate

isobutene

aspartic Acid

β-methyl N-benzyloxycarbonyl-DL-aspartate

Downstream raw materials:

t-butyl 2-benzyloxycarbonylamino-3-carbomethoxy-4-phenyl-(2RS)-butanoate

t-butyl 2-benzyloxycarbonylamino-3-carbomethoxy-4-hydroxy-4-phenyl-(2RS)-butanoate

t-butyl 2-amino-3-carbomethoxy-4-phenyl-(2RS)-butanoate

t-butyl 2-amino-3-carbomethoxy-4-hydroxy-4-phenyl-(2RS)-butanoate