(S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid

Base Information

• Chemical Name: (S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid
• CAS No.: 118247-88-4
• Molecular Formula: C17H23 N O6
• Molecular Weight: 337.37
• Mol file: 118247-88-4.mol

Synonyms:118247-88-4;(S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid;(3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid;SCHEMBL25256638;C17H23NO6;MFCD28134553;AKOS024462368;DS-7897;CS-0101212;D76150;A893190;(S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoicacid

Chemical Property of (S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid

Chemical Property:

• Boiling Point: 522.6±50.0 °C(Predicted)
• PKA: 4.28±0.10(Predicted)
• PSA: 101.93000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 2.87880
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• 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

(S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC(CC(=O)O)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)C[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1

Technology Process of (S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid

There total 7 articles about (S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid 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: 81.0%

methyl t-butyl (3R)-3-benzyloxycarbonylaminoglutarate (118248-06-9) → t-butyl hydrogen (3R)-3-benzyloxycarbonylaminoglutarate (118247-88-4)

Guidance literature:

With sodium hydroxide; In methanol; for 2.5h; Ambient temperature;

Reference yield:

Z-D-Asp(OBut)-CHN2 (118248-05-8) → t-butyl hydrogen (3R)-3-benzyloxycarbonylaminoglutarate (118247-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Ag₂O / Heating

2: NaOH / methanol

With sodium hydroxide; silver(l) oxide; In methanol;

DOI:10.1016/S0960-894X(98)00244-3

Reference yield:

(2R)-2-{[(benzyloxy)carbonyl]amino}-4-tert-butoxy-4-oxobutanoic acid (71449-08-6) → t-butyl hydrogen (3R)-3-benzyloxycarbonylaminoglutarate (118247-88-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) isobutyl chloroformate, N-methylmorpholine / 1.) DME, -20 deg C, 5 min, 2.) DME, ether, 0 deg C, 20 min

2: silver benzoate, triethylamine / 30 h / Ambient temperature

3: 2 N NaOH / methanol / 0.5 h / 30 °C

With 4-methyl-morpholine; sodium hydroxide; silver benzoate; triethylamine; isobutyl chloroformate; In methanol;

DOI:10.1021/jm00123a003

upstream raw materials:

methyl t-butyl (3R)-3-benzyloxycarbonylaminoglutarate

Z-D-Asp(OBut)-CHN₂

(2R)-2-{[(benzyloxy)carbonyl]amino}-4-tert-butoxy-4-oxobutanoic acid

3-oxopentanedioic acid dimethyl ester

Downstream raw materials:

Z-β-homo-D-Asp(OBut)-OPcp

(3R)-3-benzyloxycarbonylaminoglutaryl-(S)-alanine di-t-butyl ester

(3R)-3-benzyloxycarbonylaminoglutaryl-(S)-alanine

(3R)-3-aminoglutaryl-(S)-alanine

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