N-(2,4-Dinitrophenyl)-L-leucine

Base Information

• Chemical Name: N-(2,4-Dinitrophenyl)-L-leucine
• CAS No.: 1655-57-8
• Molecular Formula: C12H15 N3 O6
• Molecular Weight: 297.268
• Hs Code.: 2922499990
• European Community (EC) Number: 679-689-0
• UNII: 5CZ2S3URB9
• Nikkaji Number: J151.142D
• Mol file: 1655-57-8.mol

Synonyms:N-(2,4-Dinitrophenyl)-L-leucine;1655-57-8;Dnp-L-leucine;L-Leucine, N-(2,4-dinitrophenyl)-;N-Dnp-L-leucine;N-2,4-Dnp-L-leucine;N-Dinitrophenyl-l-leucine;(2S)-2-[(2,4-dinitrophenyl)amino]-4-methylpentanoic acid;(2S)-2-(2,4-dinitroanilino)-4-methylpentanoic acid;NSC-89626;Dnp-Leu-OH;(S)-2-((2,4-Dinitrophenyl)amino)-4-methylpentanoic acid;5CZ2S3URB9;SCHEMBL6129750;(2,4-Dinitrophenyl)-L-leucine;BAA65557;MFCD00038102;AKOS015833293;HY-W142020;BS-43909;CS-0201806;D1033;NS00054412;EN300-302804;T70388;2-(2,4-Dinitroanilino)-4-methylpentanoic acid #;(S)-2-(2,4-dinitrophenylamino)-4-methylpentanoic acid

Chemical Property of N-(2,4-Dinitrophenyl)-L-leucine

Chemical Property:

• Melting Point: 98 °C
• Boiling Point: 509.7°Cat760mmHg
• PKA: 3?+-.0.22(Predicted)
• Flash Point: 262.1°C
• PSA: 140.97000
• Density: 1.412g/cm³
• LogP: 3.53360
• Solubility.: almost transparency in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 297.09608521
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(2,4-Dinitrophenyl)-L-leucine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of N-(2,4-Dinitrophenyl)-L-leucine

There total 5 articles about N-(2,4-Dinitrophenyl)-L-leucine 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: 91.0%

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → N(2,4-dinitrophenyl)-(S)-leucine (1655-57-8)

Guidance literature:

With sodium hydrogencarbonate; In water; at 80 ℃; for 0.0111111h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

Reference yield: 55.0%

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N(2,4-dinitrophenyl)-(S)-leucine (1655-57-8)

Guidance literature:

With sodium hydrogencarbonate; In water; at 95 ℃; for 0.15h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

Reference yield: 48.0%

2,4-dinitrobromobenzene (584-48-5) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → N(2,4-dinitrophenyl)-(S)-leucine (1655-57-8)

Guidance literature:

With sodium hydrogencarbonate; In water; at 95 ℃; for 0.25h; microwave irradiation;

DOI:10.1016/S0040-4020(00)00739-0

upstream raw materials:

L-leucine

2,4-Dinitrofluorobenzene

meta-dinitrobenzene

LEUCINE

Refernces

• 1、 Cherng, Yie-Jia. "Efficient nucleophilic substitution reaction of aryl halides with amino acids under focused microwave irradiation". . p. 8287 - 8289. Retrieved 2007/10/03.
• 2、 Kobayashi,Samejima,Nakajima,Kawai,Udagawa. "Studies on fungal products. XI. Isolation and structures of novel cyclic pentapeptides from Aspergillus sp. NE-45". . p. 1347 - 1352. Retrieved 2007/10/02.