2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine

Base Information

• Chemical Name: 2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine
• CAS No.: 827598-51-6
• Molecular Formula: C10H10N4S
• Molecular Weight: 218.27800
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL611074
• DSSTox Substance ID: DTXSID60461254
• Wikidata: Q82285527
• Mol file: 827598-51-6.mol

Synonyms:827598-51-6;2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine;CHEMBL611074;SCHEMBL1531483;DTXSID60461254;ZPMLSCOIBKNXNK-UHFFFAOYSA-N;2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;BDBM50423770;2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamine

Chemical Property of 2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine

Chemical Property:

• PSA: 93.66000
• LogP: 1.51940
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 218.06261751
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C3=NC(=NC=C3CC2)N

Technology Process of 2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine

There total 1 articles about 2-Methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine 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%

2-methyl-6-(morpholinomethylene)-5,6-dihydro-4H-benzothiazol-7-one (827598-57-2) + guanidine hydrochloride (50-01-1) → 2-methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine (827598-51-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 4h; Heating / reflux;

Reference yield: 86.0%

2-methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine (827598-51-6) + 4-methoxycarbonylphenyl bromide (619-42-1) → methyl 4-(2-methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-ylamino)benzoate (1213702-79-4)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 115 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jm901660c

Reference yield: 86.0%

2-methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine (827598-51-6) + p-trifluoromethylphenyl bromide (402-43-7) → 2-methyl-N-(4-(trifluoromethyl)phenyl)-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 115 ℃; for 16h;

DOI:10.1021/jm901660c

upstream raw materials:

2-methyl-6-(morpholinomethylene)-5,6-dihydro-4H-benzothiazol-7-one

guanidine hydrochloride

Downstream raw materials:

methyl 4-(2-methyl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-ylamino)benzoate