StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Sodium Hydroxide → Ethyl 6-bromo-2-benzothiazoleacetate

HRID 10386
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 10386
[Br:1][C:2]1[CH:11]=[CH:10][C:5]2[N:6]=[CH:7][S:8](=O)[C:4]=2[CH:3]=1.[OH-].[Na+].[NH2:14][C:15]1[CH:20]=[CH:19][C:18]([Br:21])=[CH:17][C:16]=1[SH:22].[CH2:23]([O:25][C:26](=[O:31])[CH2:27][C:28](Cl)=[O:29])[CH3:24]>>[CH2:23]([O:25][C:26](=[O:31])[CH2:27][C:7]1[S:8][C:4]2[CH:3]=[C:2]([Br:1])[CH:11]=[CH:10][C:5]=2[N:6]=1)[CH3:24].[CH2:23]([O:25][C:26]([C:27]1[S:22][C:16]2[CH:17]=[C:18]([Br:21])[CH:19]=[CH:20][C:15]=2[NH:14][C:28]=1[OH:29])=[O:31])[CH3:24]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 14798Sodium HydroxideHCID 118931Ethyl 3-chloro-3-oxopropionateHCID 12090452-Amino-5-bromobenzene-1-thiolHCID 667018736-Bromobenzothiazolinone2×

Produkt 2

HCID 21041509Ethyl 6-bromo-2-benzothiazoleacetateHCID 178418963HCID 178418963, Verbindung

Versuchsvorschrift

Compounds of formula (22) can be prepared from 6-bromobenzothiazolone as shown in Scheme 3. 6-Bromobenzothiazolone is heated in the presence of NaOH base to provide a mixture of 2-amino-5-bromothiophenol (15) and its disulfide (16). The mixture is treated with chlorocarbonyl-acetic acid ethyl ester to provide 6-bromo-benzothiazol-2-yl-acetic acid ethyl ester (17) and 7-bromo-3-hydroxy-4H-benzo[1,4]thiazine-2-carboxylic acid ethyl ester (18), which can undergo rearrangement by treatment with zinc and ethyl acetate to provide compound (17). Compound (17) is reduced with NaBH4 to provide 2-(6-bromo-benzothiazol-2-yl)-ethanol (19). Compound (19) is treated with mesyl chloride in the presence of triethyl amine to afford the corresponding methanesulfonic acid 2-(6-bromo-benzothiazol-2-yl)-ethyl ester (20), which is treated with an amine of formula HNRaRb wherein Ra and Rb each is as defined for R4 and R5, to provide compounds of formula (21). Compounds of formula (21) can be treated with a boronic acid, wherein Rc is aryl or heteroaryl, to provide compounds of formula (22).

Aufarbeitung

  1. customto provide

Quellen und Nachweise

ORD-Eintrag
ord-c509486ce7d542aeba24813fa375ce8e
Quelldatensatz
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07094790B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion