N(alpha)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline

Base Information

• Chemical Name: N(alpha)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline
• CAS No.: 97280-42-7
• Molecular Formula: C24H29 N4 O10 P
• Molecular Weight: 564.48
• DSSTox Substance ID: DTXSID70242839
• Wikidata: Q83126694
• Mol file: 97280-42-7.mol

Synonyms:BNP-Ala-Pro;N(alpha)-(bis(4-nitrophenoxy)phosphoryl)-L-alanyl-L-proline;N(alpha)-(bis(4-nitrophenoxy)phosphoryl)alanylproline

Chemical Property of N(alpha)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline

Chemical Property:

• Vapor Pressure: 3.14E-19mmHg at 25°C
• Boiling Point: 696.2°C at 760 mmHg
• Flash Point: 374.8°C
• PSA: 195.62000
• Density: 1.381g/cm³
• LogP: 5.75490
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 564.16213013
• Heavy Atom Count: 39
• Complexity: 906

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N1CCCC1C(=O)OC(C)(C)C)NP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
• Isomeric SMILES: C[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of N(alpha)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline

There total 1 articles about N(alpha)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline 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: 48.0%

bis(4-nitrophenyl) phosphorochloridate (6546-97-0) + L-alanyl-L-proline tert-butyl ester hydrohloride (99590-72-4) → Nα--L-alanyl-L-proline tert-butyl ester (97280-42-7)

Guidance literature:

With N-ethylmorpholine;; In dichloromethane; 1.) 0 deg C, 2.5 h, 2.) RT, 4 h;

DOI:10.1021/jm00148a008

Reference yield: 84.0%

Nα--L-alanyl-L-proline tert-butyl ester (97280-42-7) → Nα-(bis(4-nitrophenoxy)phosphoryl)-L-alanyl-L-proline (97280-43-8)

Guidance literature:

With trifluoroacetic acid; for 0.333333h; Ambient temperature;

DOI:10.1021/jm00148a008

upstream raw materials:

bis(4-nitrophenyl) phosphorochloridate

L-alanyl-L-proline tert-butyl ester hydrohloride

Downstream raw materials:

N^α-(bis(4-nitrophenoxy)phosphoryl)-L-alanyl-L-proline

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