2,4-Quinazolinedithiol

Base Information

• Chemical Name: 2,4-Quinazolinedithiol
• CAS No.: 5993-69-1
• Molecular Formula: C8H6N2S2
• Molecular Weight: 194.281
• Hs Code.: 2933990090
• NSC Number: 36082
• DSSTox Substance ID: DTXSID40351265
• Nikkaji Number: J1.611.166J
• Mol file: 5993-69-1.mol

Synonyms:2,4-Quinazolinedithiol;quinazoline-2,4-dithiol;5993-69-1;1H-quinazoline-2,4-dithione;1,2,3,4-tetrahydroquinazoline-2,4-dithione;Chinazolindithion;NSC36082;2,4-dimercaptoquinazoline;SCHEMBL2680080;DTXSID40351265;ZIOAGVULHUBXBS-UHFFFAOYSA-N;HMS1761K13;CCG-47561;NSC-36082;STK695903;AKOS001121938;AKOS002250906;2-Sulfanyl-3,4-dihydroquinazoline-4-thione;CS-0270276;2,4-dithioxo-1,2,3,4-tetrahydroquinazoline;EN300-11792;SR-01000637166-1;Z57981088

Chemical Property of 2,4-Quinazolinedithiol

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Boiling Point: 333.6°C at 760 mmHg
• Flash Point: 155.6°C
• PSA: 95.76000
• Density: 1.49g/cm³
• LogP: 2.95500
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 193.99724055
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

quinazoline-2,4-dithiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=S)NC(=S)N2

Technology Process of 2,4-Quinazolinedithiol

There total 8 articles about 2,4-Quinazolinedithiol 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: 94.0%

carbon disulfide (75-15-0,12122-00-8) + anthranilic acid nitrile (1885-29-6) → quinazolin-2,4(1H, 3H)-dithione (5993-69-1)

Guidance literature:

With C₇H₁₄OS₂*C₉H₁₆N₂; In neat (no solvent); at 40 ℃; for 15h; Green chemistry;

DOI:10.1039/c4gc00190g

Reference yield: 88.0%

anthranilic acid nitrile (1885-29-6) → quinazolin-2,4(1H, 3H)-dithione (5993-69-1)

Guidance literature:

With pyridine; carbon disulfide; at 70 ℃; for 5h;

DOI:10.1016/j.bioorg.2021.105422

Reference yield:

1,2,3,4-tetrahydro-quinazoline-2,4-dione (86-96-4) → quinazolin-2,4(1H, 3H)-dithione (5993-69-1)

Guidance literature:

With Lawessons reagent; In toluene; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2013.01.067

upstream raw materials:

2,4-dichloroquinazoline

2-thioxo-2,3-dihydro-1H-quinazolin-4-one

carbon disulfide

anthranilic acid nitrile

Downstream raw materials:

2,4-bis(benzylthio)quinazoline

2-thioxo-2,3-dihydro-1H-quinazolin-4-one

2-benzylthio-4-methylthioquinazoline

2-benzylsulfanyl-3H-quinazolin-4-thione

Refernces

• 1、 Saptal, Vitthal B.,Bhanage, Bhalchandra M.. "Bifunctional Ionic Liquids for the Multitask Fixation of Carbon Dioxide into Valuable Chemicals". . p. 244 - 250. Retrieved 2016/01/26.
• 2、 Sánchez, Ana I.,Martínez-Barrasa, Valentín,Burgos, Carolina,Vaquero, Juan J.,Alvarez-Builla, Julio,Terricabras, Emma,Segarra, Víctor. "Synthesis and evaluation of quinazoline derivatives as phosphodiesterase 7 inhibitors". . p. 2370 - 2378. Retrieved 2013/05/09.