2,2-Dimethyl-2H-benzo[B][1,4]thiazin-3(4H)-one

Base Information

Chemical Name:2,2-Dimethyl-2H-benzo[B][1,4]thiazin-3(4H)-one
CAS No.:90921-53-2
Molecular Formula:C10H11NOS
Molecular Weight:193.26500
Hs Code.:
ChEMBL ID:CHEMBL121506
DSSTox Substance ID:DTXSID80535289
Nikkaji Number:J2.411.478C
Wikidata:Q82409528
Mol file:90921-53-2.mol

Synonyms:90921-53-2;2,2-DIMETHYL-2H-BENZO[B][1,4]THIAZIN-3(4H)-ONE;2H-1,4-Benzothiazin-3(4H)-one, 2,2-dimethyl-;2,2-dimethyl-4H-1,4-benzothiazin-3-one;2,2-Dimethyl-2H-1,4-benzothiazin-3(4H)-one;CHEMBL121506;SCHEMBL7745894;DTXSID80535289;MFCD16471296;AKOS022326585;AS-40573;CS-0100711

Suppliers and Price of 2,2-Dimethyl-2H-benzo[B][1,4]thiazin-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

Sigma-Aldrich
2,2-Dimethyl-2H-benzo[b][1,4]thiazin-3(4H)-one
1g
$ 258.00

Crysdot
2,2-DIMETHYL-2H-BENZO[B][1,4]THIAZIN-3(4H)-ONE 95+%
5g
$ 354.00

Chemenu
2,2-dimethyl-2H-benzo[b][1,4]thiazin-3(4H)-one 95%
5g
$ 334.00

Alichem
2,2-Dimethyl-2h-1,4-benzothiazin-3(4h)-one
1g
$ 400.00

Total 7 raw suppliers

Chemical Property of 2,2-Dimethyl-2H-benzo[B][1,4]thiazin-3(4H)-one

Chemical Property:

Melting Point:150-153 °C
Boiling Point:342.7±31.0 °C(Predicted)
PKA:12.97±0.40(Predicted)
PSA：57.89000
Density:1.159±0.06 g/cm3(Predicted)
LogP:2.59450
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:193.05613515
Heavy Atom Count:13
Complexity:227

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,2-Dimethyl-2H-benzo[b][1,4]thiazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 43
Safety Statements: 36/37

MSDS Files:

Useful:

Canonical SMILES:CC1(C(=O)NC2=CC=CC=C2S1)C

Technology Process of 2,2-Dimethyl-2H-benzo[B][1,4]thiazin-3(4H)-one

There total 6 articles about 2,2-Dimethyl-2H-benzo[B][1,4]thiazin-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: 98.0%

: 600-00-0
ethyl 2-bromoisobutyrate

: 137-07-5
2-amino-benzenethiol

: 90921-53-2
2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazine

Guidance literature:: With N-methylcyclohexylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 180 ℃; for 4h; under 7757.22 Torr; microwave irradiation;
DOI:10.1002/jhet.5570430632

Reference yield:

: 137-07-5
2-amino-benzenethiol

: 90921-53-2
2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazine

Guidance literature:: With hydrogenchloride; potassium carbonate; Yield given. Multistep reaction; 1) DMF or DMSO, 1 h, r.t., 2) DMF, 80 deg C, 1.5 h;
DOI:10.1248/cpb.38.1238

Reference yield:

: 137-07-5
2-amino-benzenethiol

: 90921-53-2
2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazine

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / 120 - 125 °C

2: 1.) n-butyllithium, diisopropylamide / 1.) ether, THF, RT, 30 min; 2.) 0 deg C; 3.) THF, 0 deg C, 2 h, RT, 2 h

With n-butyllithium; diisopropylamine;