Boc-D-Asp(OBzl)-OH

Base Information

• Chemical Name: Boc-D-Asp(OBzl)-OH
• CAS No.: 51186-58-4
• Molecular Formula: C16H21NO6
• Molecular Weight: 323.346
• Hs Code.: 2924 29 70
• UNII: JPD6M53HLN
• Nikkaji Number: J454.219C
• Mol file: 51186-58-4.mol

Synonyms:Boc-D-Asp(OBzl)-OH;51186-58-4;Boc-D-aspartic acid 4-benzyl ester;(R)-4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid;Boc-D-Asp(OBn)-OH;Boc-D-aspartic acid b-benzyl ester;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid;MFCD00038255;(R)-4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino]-4-oxobutanoic acid;JPD6M53HLN;SOHLZANWVLCPHK-GFCCVEGCSA-N;Boc-D-aspartic acid ?-benzyl ester;AKOS015995303;D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester;N-Boc-D-aspartic acid O-benzyl ester;CS-W004083;HY-W004083;AC-30045;AS-19226;Boc-D-Asp(OBzl)-OH, >=98.0% (HPLC);O10178;beta-Benzyl N-(tert-butoxycarbonyl)-D-aspartate;J-300057;Q-101774;(R)-2-tert-butoxycarbonylamino-succinic acid 4-benzyl ester;N-(tert-Butyloxycarbonyl)-D-aspartic acid 4-benzyl ester;N-alpha-t-Butyloxycarbonyl-D-aspartic acid beta-benzyl ester;(R)-4-(Benzyloxy)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid;4-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-D-aspartate

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

Chemical Property:

• Boiling Point: 508.1 °C at 760 mmHg
• PKA: 3.65±0.23(Predicted)
• Flash Point: 261.1 °C
• PSA: 101.93000
• Density: 1.219 g/cm³
• LogP: 2.48870
• Storage Temp.: Store at 0-5°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 323.13688739
• Heavy Atom Count: 23
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

Boc-D-aspartic acid alpha-benzyl 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)OCC1=CC=CC=C1)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O
• Uses: N-Boc-D-aspartic acid 4-benzyl ester is used as an intermediate in organic synthesis and pharmaceuticals.

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

There total 4 articles about Boc-D-Asp(OBzl)-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:

di-tert-butyl dicarbonate (24424-99-5) + D-aspartic acid β-benzyl ester (2177-63-1,63228-51-3,13188-89-1,25248-99-1) → 4-benzyl Boc-D-aspartate (51186-58-4,98482-77-0)

Guidance literature:

With sodium hydroxide; triethylamine; In water; acetone; at 20 ℃; for 0.0333333h;

DOI:10.1016/j.bmc.2008.02.024

Reference yield:

N-(tert-butyloxycarbonyl) azide (1070-19-5) + D-aspartic acid β-benzyl ester (2177-63-1,63228-51-3,13188-89-1,25248-99-1) → 4-benzyl Boc-D-aspartate (51186-58-4,98482-77-0)

Guidance literature:

DOI:10.1246/bcsj.46.3835

Reference yield:

→ [2R-(2R*,3S*,6R*)]-N-t-Butyl-2-[2-hydroxy-3-phenylmethyl-4-aza-5-oxo-6-N(t-butoxycarbonyl)amino-7-benzyloxycarbonyl]heptyl benzamide + 4-benzyl Boc-D-aspartate (51186-58-4,98482-77-0)

Guidance literature:

upstream raw materials:

N-(tert-butyloxycarbonyl) azide

D-aspartic acid β-benzyl ester

di-tert-butyl dicarbonate

Downstream raw materials:

Boc-D-Asp(-O-CH₂C₆H₅)-Asp-NH₂

(R)-benzyl 4-amino-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate

BOC-D-Asp(OBzl)-Glu(OBzl)-OBzl

BocDAsp(OBzl)Lys(Z)ProOBzl