4-(1,3-Dithiolan-2-yl)aniline

Base Information

• Chemical Name: 4-(1,3-Dithiolan-2-yl)aniline
• CAS No.: 94838-73-0
• Molecular Formula: C9H11NS2
• Molecular Weight: 197.325
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90380909
• Wikidata: Q82171407
• Mol file: 94838-73-0.mol

Synonyms:4-(1,3-dithiolan-2-yl)aniline;94838-73-0;4-(1,3-Dithiolan-2-yl)benzenamine;BENZENAMINE,4-(1,3-DITHIOLAN-2-YL)-;Maybridge1_004455;DTXSID90380909;MFCD02089734;AKOS000117899;SDCCGMLS-0066126.P001;CS-0022330;EN300-12901;AB00991466-01;Z119989558

Chemical Property of 4-(1,3-Dithiolan-2-yl)aniline

Chemical Property:

• Vapor Pressure: 5.12E-06mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 381.3 °C at 760 mmHg
• Flash Point: 184.4 °C
• PSA: 76.62000
• Density: 1.28 g/cm³
• LogP: 3.32860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 197.03329170
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

4-(1,3-Dithiolan-2-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(S1)C2=CC=C(C=C2)N

Technology Process of 4-(1,3-Dithiolan-2-yl)aniline

There total 3 articles about 4-(1,3-Dithiolan-2-yl)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: 93.0%

2-(4-nitrophenyl)-1,3-dithiolane (41159-02-8) → 2-(4-aminophenyl)-1,3-dithiolane (94838-73-0)

Guidance literature:

With tin(II) chloride hydrate; In ethanol; at 70 ℃; for 3h;

DOI:10.1016/j.dyepig.2013.05.024

Reference yield: 12.0%

4-aminobenzaldehyde (556-18-3,28107-09-7) + ethane-1,2-dithiol (540-63-6) → 2-(4-aminophenyl)-1,3-dithiolane (94838-73-0)

Guidance literature:

ruthenium trichloride; In acetonitrile; at 20 ℃; for 24h;

DOI:10.1002/adsc.200404323

Reference yield:

4-nitrobenzaldehdye (555-16-8) → 2-(4-aminophenyl)-1,3-dithiolane (94838-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / BF₃*O(Et)2 / CH₂Cl₂ / 6 h / Ambient temperature

2: 3.39 g / SnCl₂*2H₂O / ethanol / 0.5 h / 70 °C

With boron trifluoride diethyl etherate; tin(ll) chloride; In ethanol; dichloromethane;

DOI:10.1016/S0040-4020(01)85364-3

upstream raw materials:

2-(4-nitrophenyl)-1,3-dithiolane

4-aminobenzaldehyde

ethane-1,2-dithiol

4-nitrobenzaldehdye

Downstream raw materials:

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzaldehyde

4-(FMOC-L-prolyl-amino)benzaldehyde

Refernces

• 1、 De, Surya Kanta. "Ruthenium(III) chloride-catalyzed thioacetalization of carbonyl compounds: Scope, selectivity, and limitations". . p. 673 - 676. Retrieved 2007/10/03.