(S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide

Base Information

• Chemical Name: (S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide
• CAS No.: 85922-31-2
• Molecular Formula: C₁₉H₁₅N₃O₅
• Molecular Weight: 365.345
• European Community (EC) Number: 621-824-2
• DSSTox Substance ID: DTXSID40567344
• Nikkaji Number: J1.920.391C
• Mol file: 85922-31-2.mol

Synonyms:85922-31-2;(S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide;N-[(1S)-1-naphthalen-1-ylethyl]-3,5-dinitrobenzamide;SCHEMBL3076815;DTXSID40567344;N-[(1S)-1-(Naphthalen-1-yl)ethyl]-3,5-dinitrobenzamide;(S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide, 97%

Chemical Property of (S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide

Chemical Property:

• Vapor Pressure: 9.39E-13mmHg at 25°C
• Melting Point: 224-226oC(lit.)
• Boiling Point: 564.2oC at 760 mmHg
• Flash Point: 295oC
• PSA: 120.74000
• Density: 1.375g/cm3
• LogP: 5.58450
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 365.10117059
• Heavy Atom Count: 27
• Complexity: 551

Purity/Quality:

98% ^*data from raw suppliers

(S)-(+)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of (S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide

There total 5 articles about (S)-(+)-N-[1-(1-Naphthyl)ethyl]-3,5-dinitrobenzamide 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%

(R)-1-(1-Naphthyl)ethylamine (3886-70-2) + 3,5-dinitrobenoyl chloride (99-33-2) → N-((R)-1-(naphthalen-1-yl)ethyl)-3,5-dinitrobenzamide (85922-30-1,85922-31-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo101426a

Reference yield:

(S)-1-(1-Naphthyl)ethylamine (10420-89-0) + 3,5-dinitrobenoyl chloride (99-33-2) → N-((S)-1-Naphthalen-1-yl-ethyl)-3,5-dinitro-benzamide (85922-31-2)

Guidance literature:

With methyloxirane; In tetrahydrofuran; for 0.25h;

Reference yield:

C19H15N3O5*C32H39NO10 (1091627-47-2) → N-((R)-1-(naphthalen-1-yl)ethyl)-3,5-dinitrobenzamide (85922-30-1,85922-31-2) + (5S,19S)-27-hydroxy-25-nitro-5,19-diphenyl-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene (548485-10-5)

Guidance literature:

In ⁽²⁾H₈-toluene; at 54.84 ℃; Solvent; Temperature; Kinetics;

DOI:10.1021/ol802571d

upstream raw materials:

(RS)-1-(1-naphthyl)ethylamine

3,5-dinitrobenoyl chloride

(R)-1-(1-Naphthyl)ethylamine

C₁₉H₁₅N₃O₅*C₃₂H₃₉NO₁₀

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