2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole

Base Information

Chemical Name:2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole
CAS No.:97966-86-4
Molecular Formula:C16H13F2N3O4S
Molecular Weight:381.36
Hs Code.:
DSSTox Substance ID:DTXSID60913521
Nikkaji Number:J468.564D
ChEMBL ID:CHEMBL9539

Synonyms:2,2-difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole;B 8301-078;B-8301-078;B8301-078

Suppliers and Price of 2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole

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

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Chemical Property of 2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole

Chemical Property:

Vapor Pressure:1.7E-13mmHg at 25°C
Boiling Point:581.1°C at 760 mmHg
Flash Point:305.2°C
Density:1.63g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:381.05948340
Heavy Atom Count:26
Complexity:558

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CN=C1CS(=O)C2=NC3=CC4=C(C=C3N2)OC(O4)(F)F)OC

Technology Process of 2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole

There total 6 articles about 2,2-Difluoro-6-((4-methoxy-3-methyl-2-pyridyl)methylsulfinyl)-5H-(1,3)-dioxolo(4,5-f)benzimidazole 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: 88.0%

: 97967-00-5
2,2-difluoro-6-[(4-methoxy-3-methyl-pyridin-2-yl)methylthio]-5H-[1,3]dioxolo[4,5-f]benzimidazole

: 97966-86-4
2,2-difluoro-6-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5H-[1,3]-dioxolo-[4,5-f]benzimidazole

Guidance literature:: With sodium hydroxide; sodium hypochlorite; In ethyl acetate; for 0.5h;
DOI:10.1021/jm00084a010

Reference yield:

: 86604-74-2
2-chloromethyl-4-methoxy-3-methylpyridine hydrochloride

: 97966-86-4
2,2-difluoro-6-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5H-[1,3]-dioxolo-[4,5-f]benzimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol / 4 h / 60 °C

2: 88 percent / 10percent aq. NaOCl, 6 N aq. NaOH / ethyl acetate / 0.5 h

With sodium hydroxide; sodium hypochlorite; In ethanol; ethyl acetate;
DOI:10.1021/jm00084a010

Reference yield:

: 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide

: 97966-86-4
2,2-difluoro-6-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5H-[1,3]-dioxolo-[4,5-f]benzimidazole

Guidance literature:: Multi-step reaction with 5 steps

1: NaOMe / 16 h / 40 °C

2: 1.) Ac₂O, 2.) 2 N aq. NaOH / 1.) 100 deg C, 3 h, 2.) 80 deg C, 3 h

3: SOCl₂ / CH₂Cl₂ / 2 h / 0 - 5 °C

4: aq. NaOH / ethanol / 4 h / 60 °C

5: 88 percent / 10percent aq. NaOCl, 6 N aq. NaOH / ethyl acetate / 0.5 h

With sodium hydroxide; sodium hypochlorite; thionyl chloride; sodium methylate; acetic anhydride; In ethanol; dichloromethane; ethyl acetate;
DOI:10.1021/jm00084a010