L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-

Base Information

• Chemical Name: L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-
• CAS No.: 83472-47-3
• Molecular Formula: C₁₅H₂₆ClN₅O₄
• Molecular Weight: 375.856
• DSSTox Substance ID: DTXSID00232364
• Wikidata: Q76156850
• Mol file: 83472-47-3.mol

Synonyms:BRN 5636856;L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-;1-((Methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-L-leucinamide;N-Methyl N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide [French];83472-47-3;N-Methyl N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide;DTXSID00232364;LS-87798

Chemical Property of L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.35g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 375.1673320
• Heavy Atom Count: 25
• Complexity: 502

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(=O)C1CCCN1C(=O)N(C)N=O)NCCCl
• Isomeric SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(C)N=O)NCCCl

Technology Process of L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-

There total 5 articles about L-Leucinamide, 1-((methylnitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)- 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: 73.0%

N-methyl N-nitrosocarbamate de trichloro-2,4,5 phenyle (80354-50-3) + chlorhydrate de L-prolyl L-leucine chloro-2 ethylamide → N-methyl-N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide (83472-47-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield:

Z-L-leucine hydroxysuccinimide ester (3397-35-1) → N-methyl-N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide (83472-47-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 87 percent / N,N-diisopropyl N-ethylamine / dimethylformamide / 2 h / Ambient temperature

2: H₂, cc. HCl / Pd/C / ethanol / 5 h

3: N,N-diisopropyl N-ethylamine / dimethylformamide / 2 h / Ambient temperature

4: 98 percent / H₂, cc. HCl / Pd/C / ethanol / 5 h

5: 73 percent / N,N-diisopropyl N-ethylamine / dimethylformamide / 2 h / Ambient temperature

With hydrogenchloride; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

Reference yield:

N-benzyloxycarbonylleucine (2-chloroethyl)amide (83510-60-5) → N-methyl-N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide (83472-47-3)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂, cc. HCl / Pd/C / ethanol / 5 h

2: N,N-diisopropyl N-ethylamine / dimethylformamide / 2 h / Ambient temperature

3: 98 percent / H₂, cc. HCl / Pd/C / ethanol / 5 h

4: 73 percent / N,N-diisopropyl N-ethylamine / dimethylformamide / 2 h / Ambient temperature

With hydrogenchloride; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

N-methyl N-nitrosocarbamate de trichloro-2,4,5 phenyle

Z-L-leucine hydroxysuccinimide ester

N-benzyloxycarbonylleucine (2-chloroethyl)amide

(S)-2-Amino-4-methyl-pentanoic acid (2-chloro-ethyl)-amide; hydrochloride