13,6-N-Sulfinylacetamidopentacene

Base Information

• Chemical Name: 13,6-N-Sulfinylacetamidopentacene
• CAS No.: 454675-76-4
• Molecular Formula: C₂₄H₁₇NO₂S
• Molecular Weight: 383.47
• European Community (EC) Number: 692-546-7
• DSSTox Substance ID: DTXSID30584702
• Nikkaji Number: J1.785.062H,J2.929.261B,J2.567.939C
• Mol file: 454675-76-4.mol

Synonyms:13,6-N-Sulfinylacetamidopentacene;454675-76-4;13,6-N-SULFINYLACETAMIDOPENTACENE, 97;1-(23-oxo-23lambda4-thia-24-azahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-yl)ethanone;13,6-N-Sulfinylacetamidopentacene,97;SCHEMBL11991187;DTXSID30584702;13,6-N-Sulfinylacetamidopentacene, 97%;15-Acetyl-6,13-dihydro-6,13-(epithioimino)pentacen-16-one

Chemical Property of 13,6-N-Sulfinylacetamidopentacene

Chemical Property:

• Melting Point: 169-190 °C
• Boiling Point: 642.6±65.0 °C(Predicted)
• PKA: -2.27±0.20(Predicted)
• PSA: 56.59000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 5.81460
• Storage Temp.: ?20°C
• Solubility.: THF: soluble
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 383.09799996
• Heavy Atom Count: 28
• Complexity: 640

Purity/Quality:

98%,99%, ^*data from raw suppliers

13,6-N-Sulfinylacetamidopentacene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2C3=CC4=CC=CC=C4C=C3C(S1=O)C5=CC6=CC=CC=C6C=C25
• Uses: NSFAAP can be used as a conjugating polymer that can be used in designing of thin film transistors with field mobility of 0.27 cm2V-1s-1 and a threshold voltage parameter of -4.25 V.

Technology Process of 13,6-N-Sulfinylacetamidopentacene

There total 1 articles about 13,6-N-Sulfinylacetamidopentacene 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: 90.0%

N-sulphinylacetamide (16767-75-2) + pentacene (135-48-8) → C24H17NO2S (454675-76-4)

Guidance literature:

With methyltrioxorhenium(VII); In chloroform; Heating;

DOI:10.1021/ja0266621

upstream raw materials:

N-sulphinylacetamide

pentacene

Refernces