6-mercapto-2H-1,4-benzoxazin-3(4H)-one

Base Information

Chemical Name:6-mercapto-2H-1,4-benzoxazin-3(4H)-one
CAS No.:56077-77-1
Molecular Formula:C8H7NO2S
Molecular Weight:181.21
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90585452
Wikidata:Q82477423
Mol file:56077-77-1.mol

Synonyms:56077-77-1;6-mercapto-2H-1,4-benzoxazin-3(4H)-one;6-mercapto-2H-benzo[b][1,4]oxazin-3(4H)-one;6-sulfanyl-4H-1,4-benzoxazin-3-one;SCHEMBL2679650;DTXSID90585452;TZLHASRVPHEHSN-UHFFFAOYSA-N;AKOS009113512;6-Sulfanyl-2H-1,4-benzoxazin-3(4H)-one;EN300-26962;6-sulfanyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

Suppliers and Price of 6-mercapto-2H-1,4-benzoxazin-3(4H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00%
1G
$ 852.55

Total 2 raw suppliers

Chemical Property of 6-mercapto-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

PSA：77.13000
LogP:1.44420
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:181.01974964
Heavy Atom Count:12
Complexity:198

Purity/Quality:

98%Min ^*data from raw suppliers

6-MERCAPTO-2H-1,4-BENZOXAZIN-3(4H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC2=C(O1)C=CC(=C2)S

Technology Process of 6-mercapto-2H-1,4-benzoxazin-3(4H)-one

There total 5 articles about 6-mercapto-2H-1,4-benzoxazin-3(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: 62.0%

: C₁₂H₁₃NO₄S

: 56077-77-1
6-Mercapto-2,3-dihydro-1,4-benzoxazinon-3

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; water; at -70 ℃; for 0.5h;

Reference yield: 16.0%

: 31794-45-3
3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride

: 56077-77-1
6-Mercapto-2,3-dihydro-1,4-benzoxazinon-3

Guidance literature:: With hydrogenchloride; tin; In 1,4-dioxane; for 2h; Reflux;

Reference yield:

: 24036-52-0
6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one

: 56077-77-1
6-Mercapto-2,3-dihydro-1,4-benzoxazinon-3

Guidance literature:: Multi-step reaction with 2 steps

1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; N-ethyl-N,N-diisopropylamine / 1,4-dioxane / 8 h / 100 °C / Inert atmosphere

2: potassium tert-butylate / water; tetrahydrofuran / 0.5 h / -70 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium tert-butylate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; 1,4-dioxane; water;