Boc-D-Asp(Ofm)-OH

Base Information

• Chemical Name: Boc-D-Asp(Ofm)-OH
• CAS No.: 123417-19-6
• Molecular Formula: C₂₃H₂₅NO₆
• Molecular Weight: 411.455
• DSSTox Substance ID: DTXSID301135877
• Mol file: 123417-19-6.mol

Synonyms:Boc-D-Asp(Ofm)-OH;123417-19-6;(R)-4-((9H-Fluoren-9-yl)methoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid;(2R)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid;DTXSID301135877;MFCD00151867;AS-56906;CS-0334827;D86256;(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-[(9H-fluoren-9-yl)methoxy]-4-oxobutanoic acid;(R)-4-((9H-fluoren-9-yl)methoxy)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid;4-(9H-Fluoren-9-ylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-D-aspartate;D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-,4-(9H-fluoren-9-ylmethyl)ester

Chemical Property of Boc-D-Asp(Ofm)-OH

Chemical Property:

• PSA: 101.93000
• LogP: 4.10100
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 411.16818752
• Heavy Atom Count: 30
• Complexity: 620

Purity/Quality:

99% ^*data from raw suppliers

Boc-D-aspartic acid beta-9-fluorenylmethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

Technology Process of Boc-D-Asp(Ofm)-OH

There total 5 articles about Boc-D-Asp(Ofm)-OH 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: 87.0%

di-tert-butyl dicarbonate (24424-99-5) + L-aspartic β-9-fluorenylmethyl ester (135928-47-1) → β-9-fluorenylmethyl L-N-Boc-aspartate (117014-32-1,123417-19-6)

Guidance literature:

In 1,4-dioxane; water;

DOI:10.1080/00397919208019289

Reference yield: 84.0%

di-tert-butyl dicarbonate (24424-99-5) + L-aspartic acid γ-fluorenylmethyl ester hydrochloride (122235-69-2) → β-9-fluorenylmethyl L-N-Boc-aspartate (117014-32-1,123417-19-6)

Guidance literature:

L-aspartic acid γ-fluorenylmethyl ester hydrochloride; With sodium carbonate;

di-tert-butyl dicarbonate;

DOI:10.1021/jo901218g

Reference yield: 83.0%

{[(tert-butoxycarbonyl)oxy]amino}(phenyl)acetonitrile (80994-44-1) + L-aspartic acid γ-fluorenylmethyl ester hydrochloride (122235-69-2) → β-9-fluorenylmethyl L-N-Boc-aspartate (117014-32-1,123417-19-6)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; water; 1) 0 deg C, 15 min (pH 9.5) 2) 25 deg C, 2 h;

DOI:10.1055/s-1990-26804

upstream raw materials:

di-tert-butyl dicarbonate

L-aspartic β-9-fluorenylmethyl ester

L-aspartic acid γ-fluorenylmethyl ester hydrochloride

{[(tert-butoxycarbonyl)oxy]amino}(phenyl)acetonitrile