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

Base Information

Chemical Name:1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide
CAS No.:155863-03-9
Molecular Formula:Br*C₂₉H₂₄N₃O₆
Molecular Weight:590.43
Hs Code.:
European Community (EC) Number:634-914-1
DSSTox Substance ID:DTXSID20434409
Mol file:155863-03-9.mol

Synonyms:155863-03-9;1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide;(2,5-dioxopyrrolidin-1-yl) 3-[[4-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate;bromide;1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium (bromide);4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(3-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzyl)pyridin-1-ium bromide;Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-[[3-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]methyl]-, bromide (1:1);DTXSID20434409;LSKYMYVQAVWWBK-UHFFFAOYSA-M;HY-D1507;CS-0534718

Suppliers and Price of 1-[3-(Succinimidyloxycarbonyl)benzyl]-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-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (coupling to amines)
25 mg
$ 279.00

Sigma-Aldrich
1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (coupling to amines)
25mg-f
$ 271.00

Sigma-Aldrich
1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (coupling to amines)
5 mg
$ 74.30

Sigma-Aldrich
1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (coupling to amines)
5mg-f
$ 72.20

American Custom Chemicals Corporation
1-[3-(SUCCINIMIDYLOXYCARBONYL)BENZYL]-4-[2-(3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL)-5-OXAZOLYL]PYRIDINIUM BROMIDE 95.00%
5MG
$ 500.06

Adipogen Life Sciences
N-(3-Succinimidyloxy-carbonyl-phenyl)-methyl-4-(2-(6-(3,4-dihydro-2H-1-benzopyranyl))-5-oxazolyl)-pyridiniumbromide ≥90%(NMR)
250 mg
$ 593.00

Total 2 raw suppliers

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

Chemical Property:

PSA：102.82000
LogP:0.83210
Storage Temp.:−20°C
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:589.08485
Heavy Atom Count:39
Complexity:860

Purity/Quality:

99% ^*data from raw suppliers

1-[3-(Succinimidyloxycarbonyl)benzyl]-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide BioReagent, suitable for fluorescence, ≥90% (coupling to amines) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5=CC(=CC=C5)C(=O)ON6C(=O)CCC6=O)OC1.[Br-]

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

There total 9 articles about 1-[3-(Succinimidyloxycarbonyl)benzyl]-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: 75.0%

: 155863-35-7
1-<(3-bromomethylbenzoyl)oxy>-2,5-pyrrolidinedione

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

: 155863-03-9
1-<3-<1-(2,5-dioxopyrrolidinyl)oxycarbonyl>phenylmethyl>-4-<2-<6-(3,4-dihydro-2H-1-benzopyranyl)>-5-oxazolyl>pyridinium bromide

Guidance literature:: In ethyl acetate; for 240h;

Reference yield:

: 493-08-3
chromane

: 155863-03-9
1-<3-<1-(2,5-dioxopyrrolidinyl)oxycarbonyl>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: 75 percent / ethyl acetate / 240 h

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

Reference yield:

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

: 155863-03-9
1-<3-<1-(2,5-dioxopyrrolidinyl)oxycarbonyl>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: 75 percent / ethyl acetate / 240 h

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