3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide

Base Information

• Chemical Name: 3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide
• CAS No.: 4807-92-5
• Molecular Formula: C13H15NO2S3
• Molecular Weight: 195.056
• DSSTox Substance ID: DTXSID60412367
• Mol file: 4807-92-5.mol

Synonyms:4807-92-5;3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide;ST50179755;Oprea1_713400;DTXSID60412367;AKOS001057561;AKOS016047548;SR-01000043126;SR-01000043126-1;Z56913941

Chemical Property of 3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide

Chemical Property:

• Vapor Pressure: 2.38E-10mmHg at 25°C
• Boiling Point: 505.7°C at 760 mmHg
• Flash Point: 259.6°C
• Density: 1.46g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 313.02649224
• Heavy Atom Count: 19
• Complexity: 499

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=S)SC3C2(CS(=O)(=O)C3)C

Technology Process of 3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide

There total 2 articles about 3a-methyl-3-(2-methylphenyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide 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:

3,3'-dimethylbutyrolactone (3709-08-8) → 4-bromo-2,2-dimethyl-butyric acid (4807-92-5)

Guidance literature:

With water; phosphorus pentabromide;

Reference yield:

2,2-dimethyl-but-3-enoic acid (10276-09-2) + hydrogen bromide (10035-10-6,12258-64-9) → 3-bromo-2,2-dimethyl-butyric acid + 4-bromo-2,2-dimethyl-butyric acid (4807-92-5)

Guidance literature:

Reference yield:

4-bromo-2,2-dimethyl-butyric acid (4807-92-5) → hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

upstream raw materials:

3,3'-dimethylbutyrolactone

2,2-dimethyl-but-3-enoic acid

hydrogen bromide

Downstream raw materials:

hydrogen bromide

Methyl 4-(4-{[(2S,4R)-4-[(4-chlorophenyl)(isobutyryl)amino]-2-methyl-3,4-dihydroquinolin-1(2H)-yl]carbonyl}phenoxy)-2,2-dimethylbutanoate

Methyl 4-(4-{[(2S,4R)-4-[(4-chlorophenyl)(propionyl)amino]-2-methyl-3,4-dihydroquinolin-1(2H)-yl]carbonyl}phenoxy)-2,2-dimethylbutanoate

methyl 4-(4-{[(2S,4R)-4-[acetyl(4-chloro-2-methylphenyl)amino]-2-methyl-3,4-dihydroquinolin-1(2H)-yl]carbonyl}phenoxy)-2,2-dimethylbutanoate

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