20614-71-5

Basic information

• Product Name: Benzothiazole, 2-pentyl- (6CI,8CI,9CI)
• Synonyms: Benzothiazole, 2-pentyl- (6CI,8CI,9CI);2-(pentan-2-yl)benzo[d]thiazole
• CAS NO: 20614-71-5
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.3192
• Product Categories: BENZOTHIAZOLE
• Mol File: 20614-71-5.mol
• Article Data: 15

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzothiazole, 2-pentyl- (6CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-pentyl- (6CI,8CI,9CI)(20614-71-5)
• EPA Substance Registry System: Benzothiazole, 2-pentyl- (6CI,8CI,9CI)(20614-71-5)

Safety Data

• Hazardous Substances Data: 20614-71-5(Hazardous Substances Data)

Upstream product

• 120-75-2 2-Methylbenzothiazole 
• 109-69-3 n-Butyl chloride 
• 98370-54-8 zinc 2-aminobenzenethiolate 
• 142-62-1 hexanoic acid 
• 53213-85-7 3-Butyl-2-{(E)-3-[3-butyl-3H-benzothiazol-(2E)-ylidene]-propenyl}-benzothiazol-3-ium; iodide 
• 19094-29-2 2-(pentane-1-sulfonyl)-benzothiazole 
• 137-07-5 2-amino-benzenethiol 
• 66-25-1 hexanal 
• 1141-88-4 2-Aminophenyl disulfide 
• 450408-65-8 4,5-dichloro-2-hexanoyl-2H-pyridazin-3-one 
• 95-16-9 1,3-Benzothiazole 
• 111-27-3 hexan-1-ol 
• 2400-59-1 dihexanoyl peroxide 
• 63017-96-9 N-methyl-N-phenylhexanamide 

Relevant articles and documents

KOtBu-Promoted Halogen-Bond-Assisted Intramolecular C-S Cross-Coupling of o-Iodothioanilides for the Synthesis of 2-Substituted Benzothiazoles

An efficacious and mild KOtBu-promoted intramolecular C-S cross-coupling of ortho-iodothioanilides in conjunction with a catalytic quantity of phenanthroline as an additive has been described for the convenient synthesis of 2-substituted benzothiazoles. The methodology is suitable for attaining a wide variety of 2-alkyl- and 2-aryl-substituted benzothiazoles. Single-crystal XRD, DFT calculations, NMR, and UV studies suggest that halogen bonds between the units of ortho-iodothioanilides may assist in the electron transfer process.

Nickel(ii)-catalyzed addition of aryl-, alkenyl-, and alkylboronic acids to alkenylazaarenes

A nickel(II)-catalyzed addition of aryl-, alkenyl-, and alkylboronic acids to alkenylazaarenes was presented. This reaction exhibited high efficiency (up to 93% yield), a broad substrate scope (seven types of heterocycles), and good functional group compatibility. The resulting products can be further transformed to many useful building blocks. Finally, the preliminary studies suggested that the adjacent N atom of the heterocycles was essential for the high reactivity.

Iron-catalyzed C-H alkylation of heterocyclic C-H bonds

An efficient, iron-catalyzed C-H alkylation of benzothiazoles by using alkyl diacyl peroxides and alkyl tertbutyl peresters which are readily accessible from carboxylic acids to synthesize 2-alkylbenzothiazoles is developed. This reaction is environmentally benign and compatible with a broad range of functional groups. Various primary, secondary, and tertiary alkyl groups can be efficiently incorporated into diverse benzothiazoles. The effectiveness of this method is illustrated by late-stage functionalization of biologically active heterocycles.