2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE

Base Information

• Chemical Name: 2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE
• CAS No.: 1629-95-4
• Molecular Formula: C9H12N2OS
• Molecular Weight: 196.273
• Hs Code.: 2934999090
• Mol file: 1629-95-4.mol

Synonyms:2-Amino-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one;2-Amino-5,5-dimethyl-7-keto-4,5,6,7-tetrahydrobenzothiazole;

Chemical Property of 2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE

Chemical Property:

• Vapor Pressure: 2.71E-05mmHg at 25°C
• Melting Point: 212 °C(Solv: water (7732-18-5))
• Refractive Index: 1.596
• Boiling Point: 357.5 °C at 760 mmHg
• PKA: 3.40±0.40(Predicted)
• Flash Point: 170 °C
• PSA: 84.22000
• Density: 1.256 g/cm³
• LogP: 2.46160
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE

There total 8 articles about 2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE 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: 80.0%

dimedone (126-81-8) + thiourea (17356-08-0) → 2-amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one (1629-95-4)

Guidance literature:

With erythrosine B; oxygen; In acetonitrile; at 20 ℃; for 10h; Irradiation; Green chemistry;

DOI:10.1002/adsc.201701565

Reference yield: 75.0%

(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine (35024-12-5) + thiourea (17356-08-0) → 2-amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one (1629-95-4)

Guidance literature:

In dichloromethane; for 4h; Heating;

DOI:10.1002/jhet.5570330307

Reference yield: 73.0%

2-bromodimedone (1195-91-1) + thiourea (17356-08-0) → 2-amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one (1629-95-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; Reflux;

DOI:10.1016/j.bmcl.2008.06.076

upstream raw materials:

dimedone

thiourea

2-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-isothiourea; hydrochloride

2-bromo-5,5-dimethyl-3-hydroxycyclohex-2-en-1-one

Downstream raw materials:

2-Acetamido-5,5-dimethyl-4,5,6,7-tetrahydrobenzo-7-thiazolone

6,6-dimethyl-2-(4-nitro-phenyl)-6,7-dihydro-5H-benzo[d]imidazo[2,1-b]thiazol-8-one

6,6-Dimethyl-2-phenyl-5,7-dihydroimidazo<2,1-b>benzothiazol-8-one

2-(4-bromophenyl)-6,6-dimethyl-6,7-dihydrobenzo[d]imidazo[2,1-b]thiazol-8(5H)-one