3-Tert-butyl-6-[(2-ethylhexyl)thio]aniline

Base Information

• Chemical Name: 3-Tert-butyl-6-[(2-ethylhexyl)thio]aniline
• CAS No.: 676352-86-6
• Molecular Formula: C18H31NS
• Molecular Weight: 293.517
• DSSTox Substance ID: DTXSID40438681
• Nikkaji Number: J2.017.023I
• Mol file: 676352-86-6.mol

Synonyms:3-tert-butyl-6-[(2-ethylhexyl)thio]aniline;676352-86-6;5-tert-butyl-2-(2-ethylhexylsulfanyl)aniline;5-tert-butyl-2-(2-ethylhexylthio)aniline;SCHEMBL3270235;DTXSID40438681;AVLSDPRGRUUKBD-UHFFFAOYSA-N;2-[(2-Ethylhexyl)thio]-5-tert-butylaniline

Chemical Property of 3-Tert-butyl-6-[(2-ethylhexyl)thio]aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 391.362 °C at 760 mmHg
• PKA: 3.90±0.11(Predicted)
• Flash Point: 190.489 °C
• PSA: 51.32000
• Density: 0.964 g/cm³
• LogP: 6.45600
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 293.21772117
• Heavy Atom Count: 20
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

3-tert-Butyl-6-[(2-ethylhexyl)thio]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CSC1=C(C=C(C=C1)C(C)(C)C)N

Technology Process of 3-Tert-butyl-6-[(2-ethylhexyl)thio]aniline

There total 1 articles about 3-Tert-butyl-6-[(2-ethylhexyl)thio]aniline 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: 6.0%

5-tert-butyl-2-(2-ethylhexylthio)nitrobenzene → 3-tert-butyl-6-[(2-ethylhexyl)thio]aniline (676352-86-6)

Guidance literature:

With hydrazine; 10% palladium on activated carbon; In isopropyl alcohol; at 70 ℃; for 5h; Heating / reflux;

Reference yield: 95.0%

C18H26N2O5S + 3-tert-butyl-6-[(2-ethylhexyl)thio]aniline (676352-86-6) → C34H51N3O4S2

Guidance literature:

With aluminum isopropoxide; In xylene; at 110 - 160 ℃; for 12h; under 200 - 350 Torr; Product distribution / selectivity;

Reference yield: 85.0%

3-tert-butyl-6-[(2-ethylhexyl)thio]aniline (676352-86-6) + toluene-4-sulfonic acid (104-15-4) → C7H8O3S*C18H31NS (852360-51-1)

Guidance literature:

In toluene;

Downstream raw materials:

C₇H₈O₃S*C₁₈H₃₁NS

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