(4-Nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Base Information

• Chemical Name: (4-Nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
• CAS No.: 2130-99-6
• Molecular Formula: C20H22 N2 O6
• Molecular Weight: 386.404
• Hs Code.: 2924299090
• European Community (EC) Number: 218-351-5
• DSSTox Substance ID: DTXSID80943805
• Mol file: 2130-99-6.mol

Synonyms:p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate;p-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinate;Z-L-ILE-ONP;SCHEMBL7278888;DTXSID80943805;(4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate;EINECS 218-351-5;MB00426;FT-0634052;4-Nitrophenyl N-[(benzyloxy)(hydroxy)methylidene]isoleucinate;(2S,3S)-4-nitrophenyl 2-(((benzyloxy)carbonyl)amino)-3-methylpentanoate

Chemical Property of (4-Nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Chemical Property:

• Vapor Pressure: 1.26E-12mmHg at 25°C
• Boiling Point: 561.3°Cat760mmHg
• Flash Point: 293.2°C
• PSA: 110.45000
• Density: 1.239g/cm³
• LogP: 4.75540
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 386.14778643
• Heavy Atom Count: 28
• Complexity: 521

Purity/Quality:

97% ^*data from raw suppliers

Z-Ile-ONp ≥98.0% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Technology Process of (4-Nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

There total 3 articles about (4-Nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate 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: 100.0%

→ L-isoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucyl-glycinamide + L-ZIleONp (2130-99-6,3556-54-5,4108-22-9,78184-09-5)

Guidance literature:

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-Cbz-L-Isoleucine (3160-59-6) → α-carbobenzoxy-L-isoleucine p-nitrophenyl ester (2130-99-6)

Guidance literature:

With ethyl acetate; dicyclohexyl-carbodiimide;

DOI:10.1021/ja01530a040

Reference yield:

→ L-ZIleONp (2130-99-6,3556-54-5,4108-22-9,78184-09-5)

Guidance literature:

Z-L-Ile, p-Nitrophenol;

DOI:10.1021/ja00814a039

upstream raw materials:

4-nitro-phenol

N-Cbz-L-Isoleucine

Downstream raw materials:

N-benzyloxycarbonyl-L-isoleucine

Z-Ile-Ala-O-t-Bu

Z-Ile-Trp-Gly-OBu^t

(S)-2-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-succinic acid 4-tert-butyl ester