1,1'-Thiocarbonyldi-2(1H)-pyridone

Base Information

• Chemical Name: 1,1'-Thiocarbonyldi-2(1H)-pyridone
• CAS No.: 102368-13-8
• Molecular Formula: C11H8 N2 O2 S
• Molecular Weight: 232.263
• Hs Code.: 2933399090
• European Community (EC) Number: 629-138-5
• DSSTox Substance ID: DTXSID80357403
• Wikidata: Q72508689
• Mol file: 102368-13-8.mol

Synonyms:102368-13-8;1,1'-Thiocarbonyldi-2(1H)-pyridone;1,1'-Thiocarbonylbis(pyridin-2(1H)-one);1-(2-oxopyridine-1-carbothioyl)pyridin-2-one;2(1H)-Pyridinone, 1,1'-carbonothioylbis-;1,1'-thiocarbonyldipyridin-2(1H)-one;SCHEMBL558876;1,1'-thiocarbonyldi-2-pyridone;DTXSID80357403;KXMMNJQMGILZDB-UHFFFAOYSA-N;BCP10148;MFCD00075238;1,1'-thiocarbonyldi-2(2h)-pyridone;1,1'-thiocarbonyldi-2-(1H)pyridone;AKOS015898804;1,1'-thiocarbonyldi-2 (1h)-pyridone;1,1'-thiocarbonyldi-2-(1h)-pyridone;CS-W007804;1,1'-carbonothioyldipyridin-2(1H)-one;1,1'-thio-carbonyl-di-2(1h)-pyridone;1,1'-thiocarbonyldipyridin-2 (1H)-one;1,1'-thiocarbonyldipyridin-2(1 H)-one;1,1'-carbonothioyldipyridine-2(1H)-one;DS-14979;T3644;1,1'-Thiocarbonyldi-2(1H)-pyridone, 97%;W-200667

Chemical Property of 1,1'-Thiocarbonyldi-2(1H)-pyridone

Chemical Property:

• Melting Point: 163-166 °C(lit.)
• Boiling Point: 385.2oC at 760 mmHg
• PKA: -1.70±0.23(Predicted)
• Flash Point: 186.8oC
• PSA: 76.09000
• Density: 1.485g/cm3
• LogP: 0.69130
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 232.03064868
• Heavy Atom Count: 16
• Complexity: 432

Purity/Quality:

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

1,’1-Thiocarbonyldi-2(1H)-pyridone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)N(C=C1)C(=S)N2C=CC=CC2=O
• Uses: 1,1'-Thiocarbonyldi-2(1H)-pyridone is used in the preparation of thio-analogs of thioureas, sulforaphane and 2-furan-2-yl-3-hydroxy-6-isothiocyanato-chromen-4-one. It is involved in the preparation of norbiotinamine and its reactive derivatives such as isothiocyanates.

Technology Process of 1,1'-Thiocarbonyldi-2(1H)-pyridone

There total 1 articles about 1,1'-Thiocarbonyldi-2(1H)-pyridone 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: 95.0%

di-2-pyridyl thionocarbonate (96989-50-3) → 1,1'-Thiocarbonyldi-2(1H)-pyridone (102368-13-8)

Guidance literature:

In toluene; at 110 ℃; for 12h;

DOI:10.1021/jo00363a046

Reference yield: 97.0%

N-(1-amino-3-bicyclo[1.1.1]pentanyl)-2-(4-chlorophenoxy)acetamide trifluoroacetic acid salt + 1,1'-Thiocarbonyldi-2(1H)-pyridone (102368-13-8) → 2-(4-chlorophenoxy)-N-(3-isothiocyanatobicyclo[1.1.1]pentan-1-yl)acetamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 96.0%

1,1'-Thiocarbonyldi-2(1H)-pyridone (102368-13-8) + aniline (62-53-3) → phenyl isothiocyanate (103-72-0)

Guidance literature:

In dichloromethane; for 0.2h; Ambient temperature;

DOI:10.1021/jo00363a046

upstream raw materials:

di-2-pyridyl thionocarbonate

Downstream raw materials:

2-Oxo-2H-pyridine-1-carbothioic acid O-((4aR,6S,7S,8S,8aS)-6-methoxy-7-methyl-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl) ester

1,3-dioxolane-2-thione

p-nitrophenyl isothiocyanate

tert-butyl isothiocyanate

Refernces