3-[(2,4-dinitrophenyl)disulfanyl]-N-(2-tritylsulfanylethyl)propanamide

Base Information

• Chemical Name: 3-[(2,4-dinitrophenyl)disulfanyl]-N-(2-tritylsulfanylethyl)propanamide
• CAS No.: 3513-49-3
• Molecular Formula: C30H27N3O5S3
• Molecular Weight: 605.7475
• NSC Number: 129882
• DSSTox Substance ID: DTXSID50956563
• Wikidata: Q82936643

Synonyms:3513-49-3;NSC129882;DTXSID50956563;NSC-129882;3-[(2,4-Dinitrophenyl)disulfanyl]-N-{2-[(triphenylmethyl)sulfanyl]ethyl}propanimidic acid

Chemical Property of 3-[(2,4-dinitrophenyl)disulfanyl]-N-(2-tritylsulfanylethyl)propanamide

Chemical Property:

• Vapor Pressure: 2.96E-23mmHg at 25°C
• Boiling Point: 764.1°C at 760 mmHg
• Flash Point: 415.9°C
• Density: 1.39g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 605.11128449
• Heavy Atom Count: 41
• Complexity: 791

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCNC(=O)CCSSC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 3-[(2,4-dinitrophenyl)disulfanyl]-N-(2-tritylsulfanylethyl)propanamide

There total 2 articles about 3-[(2,4-dinitrophenyl)disulfanyl]-N-(2-tritylsulfanylethyl)propanamide 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:

triphenylmethanethiol (3695-77-0) → N-(2-Tritylthio-ethyl)-5-(2,4-dinitro-phenyl)-4,5-dithia-pentanamid (3513-49-3)

Guidance literature:

Multi-step reaction with 2 steps

2: DCC / CH₂Cl₂

With dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/ja01095a032

Reference yield:

2-amino tritylthio ethane (1095-85-8) + 3-(2,4-dinitro-phenyldisulfanyl)-propionic acid (3513-48-2) → N-(2-Tritylthio-ethyl)-5-(2,4-dinitro-phenyl)-4,5-dithia-pentanamid (3513-49-3)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/ja01095a032

Reference yield:

N-(2-Tritylthio-ethyl)-5-(2,4-dinitro-phenyl)-4,5-dithia-pentanamid (3513-49-3) → N-<3-Thiapropyl>-6-<2,4-dinitro-phenyl>-4,5-dithiapentanamid-disulfid (3513-50-6)

Guidance literature:

With thiocyanogen; boron trifluoride diethyl etherate;

DOI:10.1021/ja01095a032

upstream raw materials:

2-amino tritylthio ethane

3-(2,4-dinitro-phenyldisulfanyl)-propionic acid

triphenylmethanethiol

Downstream raw materials:

N-<3-Thiapropyl>-6-<2,4-dinitro-phenyl>-4,5-dithiapentanamid-disulfid

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