1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide

Base Information

Chemical Name:1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide
CAS No.:155863-01-7
Molecular Formula:Br*C₂₅H₂₀N₃O₂S
Molecular Weight:506.423
Hs Code.:
European Community (EC) Number:634-912-0
DSSTox Substance ID:DTXSID90440592
Mol file:155863-01-7.mol

Synonyms:155863-01-7;1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide;4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(3-isothiocyanatobenzyl)pyridin-1-ium bromide;2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-1,3-oxazole;bromide;Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-[(3-isothiocyanatophenyl)methyl]-, bromide (1:1);1-(3-Isothiocyatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl];DTXSID90440592;MFCD08277012;AT25385;J-009245;1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl];1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide, BioReagent, suitable for fluorescence, >=90% (HPCE)

Suppliers and Price of 1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide

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
1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent,suitableforfluorescence,≥90%(HPCE)
5 mg
$ 69.50

Sigma-Aldrich
1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (HPCE)
5mg-f
$ 67.50

Sigma-Aldrich
1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent,suitableforfluorescence,≥90%(HPCE)
25 mg
$ 234.00

Sigma-Aldrich
1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (HPCE)
25mg-f
$ 227.00

American Custom Chemicals Corporation
1-(3-ISOTHIOCYANATOBENZYL)-4-[2-(3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL)-5-OXAZOLYL]PYRIDINIUM BROMIDE 95.00%
5MG
$ 502.25

Adipogen Life Sciences
1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide ≥90%(HPCE)
50 mg
$ 129.00

Total 2 raw suppliers

Chemical Property of 1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide

Chemical Property:

Storage Temp.:2-8°C
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:505.04596
Heavy Atom Count:32
Complexity:634

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent,suitableforfluorescence,≥90%(HPCE) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5=CC(=CC=C5)N=C=S)OC1.[Br-]

Technology Process of 1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide

There total 8 articles about 1-(3-Isothiocyanatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide 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: 100.0%

: 155863-31-3
1-Bromomethyl-3-isothiocyanato-benzene

: 155863-42-6
2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-(4-pyridyl)oxazole

: 155863-01-7
1-<2-(thiocarbonylamino)phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

Guidance literature:: In toluene; for 72h; Heating;

Reference yield:

: 493-08-3
chromane

: 155863-01-7
1-<2-(thiocarbonylamino)phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

Guidance literature:: Multi-step reaction with 7 steps

1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 1 h / 0 °C

2: 71 percent / 25percent aq. NaOCl / 0.5 h / Heating

3: 94 percent / SOCl₂ / 1.5 h / Heating

4: 95 percent / triethylamine / toluene / Ambient temperature

5: 86 percent / 1 M aq. HCl / 0.5 h / Heating

6: 82 percent / SOCl₂ / 0.75 h / Heating

7: 100 percent / toluene / 72 h / Heating

With hydrogenchloride; sodium hypochlorite; aluminium trichloride; thionyl chloride; triethylamine; In 1,2-dichloro-ethane; toluene;

Reference yield:

: 58621-52-6
1-<6-(3,4-dihydro-2H-1-benzopyranyl)>ethanone

: 155863-01-7
1-<2-(thiocarbonylamino)phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

Guidance literature:: Multi-step reaction with 6 steps

1: 71 percent / 25percent aq. NaOCl / 0.5 h / Heating

2: 94 percent / SOCl₂ / 1.5 h / Heating

3: 95 percent / triethylamine / toluene / Ambient temperature

4: 86 percent / 1 M aq. HCl / 0.5 h / Heating

5: 82 percent / SOCl₂ / 0.75 h / Heating

6: 100 percent / toluene / 72 h / Heating

With hydrogenchloride; sodium hypochlorite; thionyl chloride; triethylamine; In toluene;