4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile

Base Information

Chemical Name:4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile
CAS No.:91534-24-6
Molecular Formula:C₁₃H₁₃BrN₂S
Molecular Weight:309.23
Hs Code.:
DSSTox Substance ID:DTXSID20530475
Wikidata:Q82401624

Synonyms:91534-24-6;DTXSID20530475;4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile

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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 4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:307.99828
Heavy Atom Count:17
Complexity:371

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(CSN(C1)C2=C(C=CC(=C2)Br)C#N)C

Technology Process of 4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile

There total 3 articles about 4-Bromo-2-(4,5-dimethyl-3,6-dihydro-2H-1,2-thiazin-2-yl)benzonitrile 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:

: 139219-79-7
3-azido-6-bromo-2,1-benzisothiazole

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 4-Bromo-2-[(2-methyl-1-methylene-allylsulfanylmethyl)-amino]-benzonitrile

: 91534-24-6
4-Bromo-2-(4,5-dimethyl-3,6-dihydro-[1,2]thiazin-2-yl)-benzonitrile

Guidance literature:: at 69 ℃; for 16h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/0040-4039(91)80134-R

Reference yield:

: 3-amino-6-bromo-2,1-benzisothiazole

: 91534-24-6
4-Bromo-2-(4,5-dimethyl-3,6-dihydro-[1,2]thiazin-2-yl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NaNO₂, HCl, 2) NaN₃

2: 69 °C

With hydrogenchloride; sodium azide; sodium nitrite;
DOI:10.1039/c39840000374