N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol

Base Information

• Chemical Name: N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol
• CAS No.: 306740-88-5
• Molecular Formula: C₆₂H₆₁Cl₂N₃O₃S₂
• Molecular Weight: 1031.22
• Mol file: 306740-88-5.mol

Synonyms:N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol

Chemical Property of N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol

There total 4 articles about N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol 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: 31.0%

N-[[[[2-[(triphenylmethyl)thio]ethyl]amino]carbonyl]-methyl]-N-(3′-chloropropyl)-S-(triphenylmethyl)-2-aminoethanethiol (189818-57-3) + (1R)-2-methoxycarbonyl-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene (306740-86-3) → N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol (306740-88-5)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 20h; Heating;

DOI:10.1021/jm0301484

Reference yield:

(1R)-(-)-2-carbomethoxy-3-tropinone (85506-18-9) → N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol (306740-88-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium bistrimethylsilylamide / tetrahydrofuran / 0.5 h / -78 °C

1.2: 97 percent / tetrahydrofuran / -78 - 22 °C

2.1: 83 percent / LiCl; aq. Na₂CO₃; Pd₂dba3 / various solvent(s) / 3 h / Heating

3.1: 1-chloroethyl chloroformate / 2 h / 135 °C

3.2: MeOH / 1 h / Heating

4.1: 31 percent / KI; K₂CO₃ / acetonitrile / 20 h / Heating

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; carbonochloridic acid 1-chloro-ethyl ester; sodium hexamethyldisilazane; sodium carbonate; potassium carbonate; potassium iodide; lithium chloride; In tetrahydrofuran; acetonitrile; 2.1: Suzuki coupling;

DOI:10.1021/jm0301484

Reference yield:

methyl (1R,5S)-8-methyl-3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (168143-65-5) → N-[2-(3'-N'-propyl-(1''R)-3''-(3,4-dichlorophenyl)trop-2-ene-2''-(methoxycarbonyl))((2-((triphenylmethyl)thio)ethyl)amino)acetyl]-S-(triphenyl)-2-aminoethanethiol (306740-88-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 83 percent / LiCl; aq. Na₂CO₃; Pd₂dba3 / various solvent(s) / 3 h / Heating

2.1: 1-chloroethyl chloroformate / 2 h / 135 °C

2.2: MeOH / 1 h / Heating

3.1: 31 percent / KI; K₂CO₃ / acetonitrile / 20 h / Heating

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; carbonochloridic acid 1-chloro-ethyl ester; sodium carbonate; potassium carbonate; potassium iodide; lithium chloride; In acetonitrile; 1.1: Suzuki coupling;

DOI:10.1021/jm0301484

upstream raw materials:

N-[[[[2-[(triphenylmethyl)thio]ethyl]amino]carbonyl]-methyl]-N-(3′-chloropropyl)-S-(triphenylmethyl)-2-aminoethanethiol

(1R)-2-methoxycarbonyl-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene

(1R)-(-)-2-carbomethoxy-3-tropinone

methyl (1R,5S)-8-methyl-3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate