(4-Nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate

Base Information

• Chemical Name: (4-Nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
• CAS No.: 13574-81-7
• Molecular Formula: C18H17 N3 O7
• Molecular Weight: 387.349
• Hs Code.: 2924299090
• European Community (EC) Number: 622-522-3
• NSC Number: 118445
• DSSTox Substance ID: DTXSID90297841
• Wikidata: Q82039306
• ChEMBL ID: CHEMBL1873285
• Mol file: 13574-81-7.mol

Synonyms:13574-81-7;Z-Gly-Gly-ONP;4-nitrophenyl n-[(benzyloxy)carbonyl]glycylglycinate;MLS002706796;(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate;Z-Gly-Gly p-nitrophenyl ester;NSC118445;Z-Glycyl-glycine 4-nitrophenyl ester;CHEMBL1873285;DTXSID90297841;VJPZTTLCVFONEM-UHFFFAOYSA-N;Glycine, N-[N-[(phenylmethoxy)carbonyl]glycyl]-, 4-nitrophenyl ester;STL574873;AKOS024374922;N-Cbz-glycylglycine p-nitrophenyl ester;NSC-118445;SMR001574195;carbobenzoxyglycylglycine p-nitro-phenylester;FT-0769075;F90232;N-Carbobenzyloxy-glycyl-glycine-p-nitrophenyl ester;4-nitrophenyl 2-(2-(benzyloxycarbonylamino)acetamido)acetate;4-Nitrophenyl [(([(benzyloxy)carbonyl]amino)acetyl)amino]acetate #;Glycine,N-[n-[(phenylmethoxy)carbonyl]glycyl]-,4-nitrophenyl ester(9ci)

Chemical Property of (4-Nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate

Chemical Property:

• Vapor Pressure: 3.75E-18mmHg at 25°C
• Melting Point: 161-163 °C
• Boiling Point: 676.4 ºCat 760 mmHg
• PKA: 10.98±0.46(Predicted)
• Flash Point: 362.9 ºC
• PSA: 139.55000
• Density: 1.364 g/cm³
• LogP: 2.84780
• Storage Temp.: -15°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 387.10664989
• Heavy Atom Count: 28
• Complexity: 550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-Nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate

There total 5 articles about (4-Nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate 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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + CbzGlyGly (2566-19-0) → benzyloxycarbonylglycylglycine p-nitrophenyl ester (13574-81-7)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate;

Reference yield:

CbzGlyGly (2566-19-0) + 1-nitro-4-trifluoroacetoxy-benzene (658-78-6) → benzyloxycarbonylglycylglycine p-nitrophenyl ester (13574-81-7)

Guidance literature:

With pyridine;

DOI:10.1246/bcsj.37.1231

Reference yield:

CbzGlyGly (2566-19-0) + bis(p-nitrophenyl)sulfite (25887-81-4) → benzyloxycarbonylglycylglycine p-nitrophenyl ester (13574-81-7)

Guidance literature:

With pyridine;

DOI:10.1002/hlca.19570400216

upstream raw materials:

CbzGlyGly

bis(p-nitrophenyl)sulfite

4-nitro-phenol

1-nitro-4-trifluoroacetoxy-benzene

Downstream raw materials:

7-(N^α-Z-Glycylglycyl-L-argininamido)-4-(trifluoromethyl)coumarin Dihydrochloride

benzyloxycarbonyl-glycyl-glycyl-L-phenylalanyl-L-citrulline p-nitroanilide

3-{[2-(2-Benzyloxycarbonylamino-acetylamino)-acetylamino]-methyl}-benzoic acid 2,4,6-trimethyl-benzyl ester

4-nitro-phenol