3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline

Base Information

• Chemical Name: 3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline
• CAS No.: 67755-04-8
• Molecular Formula: C12H11NOS
• Molecular Weight: 217.2868
• DSSTox Substance ID: DTXSID80987082

Synonyms:2,3-Dihydro-3-methyl-5H-thiazolo(3,2-b)isoquinolin-5-one;67755-04-8;3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline;5H-Thiazolo(3,2-b)isoquinolin-5-one, 2,3-dihydro-3-methyl-;SCHEMBL11230539;DTXSID80987082;LS-152014;3-Methyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-b]isoquinolin-5-one

Chemical Property of 3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline

Chemical Property:

• Vapor Pressure: 1.48E-07mmHg at 25°C
• Boiling Point: 428.7°C at 760 mmHg
• Flash Point: 213.1°C
• Density: 1.33g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 217.05613515
• Heavy Atom Count: 15
• Complexity: 326

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: CC1CSC2=CC3=CC=CC=C3C(=O)N12

Technology Process of 3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline

There total 3 articles about 3-Methyl-5-oxo-2,3-dihydro-5H-thiazolo(3,2-b)isoquinoline 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:

Homophthalic acid (89-51-0) + 2-mercapto-1-methylethylamine hydrochloride (4145-98-6) → 3-methyl-2,3-dihydro-thiazolo[3,2-b]isoquinolin-5-one (67755-04-8)

Guidance literature:

With sodium acetate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; acetic acid; ethyl acetate;

Reference yield:

Homophthalic acid (89-51-0) + 2-amino-propane-1-thiol; hydrobromide (84728-87-0) → 3-methyl-2,3-dihydro-thiazolo[3,2-b]isoquinolin-5-one (67755-04-8)

Guidance literature:

Multistep reaction; (i) NaOAc, 1,2-dichloro-benzene, (ii) TsOH;

DOI:10.1248/cpb.27.2372

Reference yield:

→ 3-methyl-2,3-dihydro-thiazolo[3,2-b]isoquinolin-5-one (67755-04-8)

Guidance literature:

Carboxymethylbenzoesaeure, Aminopropanthiol;

upstream raw materials:

Homophthalic acid

2-amino-propane-1-thiol; hydrobromide

2-mercapto-1-methylethylamine hydrochloride

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