Methyl 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanoate

Base Information

• Chemical Name: Methyl 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanoate
• CAS No.: 35959-79-6
• Molecular Formula: C₄₈H₄₈N₂O₃S
• Molecular Weight: 732.987
• NSC Number: 128282
• DSSTox Substance ID: DTXSID10957374

Synonyms:35959-79-6;NSC128282;DTXSID10957374;NSC-128282;N-(1-Methoxy-4-methyl-1-oxopentan-2-yl)-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)sulfanyl]propanimidic acid

Chemical Property of Methyl 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanoate

Chemical Property:

• Vapor Pressure: 2.52E-26mmHg at 25°C
• Boiling Point: 810.5°C at 760 mmHg
• Flash Point: 444°C
• Density: 1.153g/cm³
• XLogP3: 10.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 732.33856457
• Heavy Atom Count: 54
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Technology Process of Methyl 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanoate

There total 1 articles about Methyl 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]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:

methyl (L)-leucinate hydrochloride (7517-19-3) + N,S-ditrityl-L-cysteine diethhylamine (27486-88-0) → (S)-4-Methyl-2-[(R)-2-(trityl-amino)-3-tritylsulfanyl-propionylamino]-pentanoic acid methyl ester (35959-79-6)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/jm00271a005

Reference yield:

(S)-4-Methyl-2-[(R)-2-(trityl-amino)-3-tritylsulfanyl-propionylamino]-pentanoic acid methyl ester (35959-79-6) → (S)-4-Methyl-2-[(R)-2-(trityl-amino)-3-tritylsulfanyl-propionylamino]-pentanoic acid (35959-78-5)

Guidance literature:

With potassium hydroxide; In methanol;

DOI:10.1021/jm00271a005

Reference yield:

(S)-4-Methyl-2-[(R)-2-(trityl-amino)-3-tritylsulfanyl-propionylamino]-pentanoic acid methyl ester (35959-79-6) → (S)-2-((R)-2-Amino-3-tritylsulfanyl-propionylamino)-4-methyl-pentanoic acid methyl ester

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane; acetone;

DOI:10.1021/jm00271a005

upstream raw materials:

methyl (L)-leucinate hydrochloride

N,S-ditrityl-L-cysteine diethhylamine

Downstream raw materials:

(S)-4-Methyl-2-[(R)-2-(trityl-amino)-3-tritylsulfanyl-propionylamino]-pentanoic acid

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