2-Methylquinazoline-4-thiol

Base Information

• Chemical Name: 2-Methylquinazoline-4-thiol
• CAS No.: 6484-28-2
• Molecular Formula: C9H8 N2 S
• Molecular Weight: 176.242
• Hs Code.: 2933990090
• NSC Number: 35059
• DSSTox Substance ID: DTXSID00352470
• Nikkaji Number: J2.002.942K
• ChEMBL ID: CHEMBL1531501
• Mol file: 6484-28-2.mol

Synonyms:2-methylquinazoline-4-thiol;6484-28-2;2-methyl-1H-quinazoline-4-thione;NSC35059;MLS000567086;4-mercapto-2-methylquinazoline;SCHEMBL9357207;CHEMBL1531501;DTXSID00352470;MPFMDBDLIURSOD-UHFFFAOYSA-N;HMS2172L09;HMS3318C12;NSC-35059;AKOS000117760;AKOS002385549;SMR000153762;CS-0230927;EN300-10620;A914066;Z57011383

Chemical Property of 2-Methylquinazoline-4-thiol

Chemical Property:

• Vapor Pressure: 0.0665mmHg at 25°C
• Boiling Point: 238.1°C at 760 mmHg
• Flash Point: 97.8°C
• PSA: 60.77000
• LogP: 2.60080
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 176.04081944
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

2-Methylquinazoline-4-thiol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=S)C2=CC=CC=C2N1

Technology Process of 2-Methylquinazoline-4-thiol

There total 15 articles about 2-Methylquinazoline-4-thiol 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: 76.0%

2-methyl-4-chloroquinazoline (6484-24-8) → 2-methyl-4(3H)-quinazolinethione (6484-28-2)

Guidance literature:

With thiourea; In ethanol; for 4h; Heating;

DOI:10.1080/10426500211723

Reference yield: 73.9%

2-methyl-4-quinazolone (1769-24-0) → 2-methyl-4(3H)-quinazolinethione (6484-28-2)

Guidance literature:

With Lawessons reagent; In 1,4-dioxane; Reflux;

DOI:10.3109/14756366.2015.1018243

Reference yield:

acetic anhydride (108-24-7) + 2-aminobenzothioamide (2454-39-9) → 2-methyl-4(3H)-quinazolinethione (6484-28-2)

Guidance literature:

upstream raw materials:

2-methyl-4-quinazolone

acetic anhydride

2-aminobenzothioamide

anthranilic acid nitrile

Downstream raw materials:

ω-(2-methyl-4-quinazolinylthio)-acetophenone

C₂₃H₁₈N₆S

C₂₃H₁₈N₆S

C₂₃H₁₇N₃S

Refernces

• 1、 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.
• 2、 Marzouk, Magda I.,El-Aasar, Nadia. "Behaviour of β-(4-chloro-3-methyl)benzoyl Acrylic Acid Towards 2-Methyl-3H-quinazolin-4-thione". . p. 843 - 854. Retrieved 2007/10/03.