4-Nitrophenyl phthalimidoacetate

Base Information

• Chemical Name: 4-Nitrophenyl phthalimidoacetate
• CAS No.: 21313-49-5
• Molecular Formula: C16H10N2O6
• Molecular Weight: 326.265
• DSSTox Substance ID: DTXSID00354893
• Wikidata: Q27145096
• ChEMBL ID: CHEMBL2447903
• Mol file: 21313-49-5.mol

Synonyms:Pht-Gly-Onp;21313-49-5;4-nitrophenyl phthalimidoacetate;(4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate;CHEBI:75058;PHTHALOYL-GLYCINE 4-NITOROPHENYL ESTER;4-nitrophenyl 2-(1,3-dioxoisoindolin-2-yl)acetate;C16H10N2O6;4-nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate;CBChromo1_000031;Probes1_000167;Probes2_000342;Oprea1_150896;CBDivE_009698;p-nitrophenyl phthalimidoacetate;CHEMBL2447903;DTXSID00354893;MFCD00190995;STK837175;AKOS000574706;UPCMLD0ENAT0500-0060:001;CS-0360477;AB00074334-01;Q27145096;Z28211627

Chemical Property of 4-Nitrophenyl phthalimidoacetate

Chemical Property:

• Melting Point: 180-181.5 °C
• Boiling Point: 530.8±35.0 °C(Predicted)
• PKA: -2.59±0.20(Predicted)
• Density: 1.499±0.06 g/cm3(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 326.05388604
• Heavy Atom Count: 24
• Complexity: 525

Purity/Quality:

98% ^*data from raw suppliers

Phthaloyl-glycine 4-nitorophenyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4-Nitrophenyl phthalimidoacetate

There total 3 articles about 4-Nitrophenyl phthalimidoacetate 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%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-phthaloylglycine (4702-13-0) → N,N-phthaloyl-glycine-(4-nitro-phenyl ester) (21313-49-5)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; Ambient temperature;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-phthaloylglycine chloride (6780-38-7) → N,N-phthaloyl-glycine-(4-nitro-phenyl ester) (21313-49-5)

Guidance literature:

Reference yield:

N-phthaloylglycine (4702-13-0) → N,N-phthaloyl-glycine-(4-nitro-phenyl ester) (21313-49-5)

Guidance literature:

With tetrahydrofuran; 1-ethyl-piperidine; chloroformic acid ethyl ester; und anschliessenden Erwaermen mit 4-Nitro-phenol;

upstream raw materials:

4-nitro-phenol

N-phthaloylglycine chloride

N-phthaloylglycine

Downstream raw materials:

N-(N,N-phthaloyl-glycyl)-L-tyrosin-ethyl ester

N-phthaloylglycylglycine

N²-(N,N-phthaloyl-glycyl)-L-asparagine