112671-47-3

Basic information

• Product Name: Carbamic acid, (4-bromo-2-iodophenyl)-, ethyl ester
• CAS NO: 112671-47-3
• Molecular Formula: C9H9BrINO2
• Molecular Weight: 369.984
• Mol File: 112671-47-3.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Carbamic acid, (4-bromo-2-iodophenyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, (4-bromo-2-iodophenyl)-, ethyl ester(112671-47-3)
• EPA Substance Registry System: Carbamic acid, (4-bromo-2-iodophenyl)-, ethyl ester(112671-47-3)

Safety Data

• Hazardous Substances Data: 112671-47-3(Hazardous Substances Data)

Upstream product

• 66416-72-6 4-bromo-2-iodoaniline 
• 541-41-3 chloroformic acid ethyl ester 

Downstream Products

• 10075-50-0 5-bromo-1H-indole 
• 221353-39-5 Ethyl 4-bromo-(2-phenylethynyl)phenylcarbamate 
• 112671-53-1 (4-Bromo-2-trimethylsilanylethynyl-phenyl)-carbamic acid ethyl ester 

Relevant articles and documents

Palladium-Catalyzed Aminocyclization-Coupling Cascades: Preparation of Dehydrotryptophan Derivatives and Computational Study

Dehydrotryptophan derivatives have been prepared by palladium-catalyzed aminocyclization-Heck-type coupling cascades starting from o-alkynylaniline derivatives and methyl α-aminoacrylate. Aryl, alkyl (primary, secondary, and tertiary), and alkenyl substituents have been introduced at the indole C-2 position. Further variations at the indole benzene ring, as well as the C-2-unsubstituted case, have all been demonstrated. In the case of C-2 aryl substitution, the preparation of the o-alkynylaniline substrate by Sonogashira coupling and the subsequent cyclization-coupling cascade have been performed in a one-pot protocol with a single catalyst. DFT calculations have revealed significant differences in the reaction profiles of these reactions relative to those involving methyl acrylate or methacrylate, and between the reactions of the free anilines and their corresponding carbamates. Those calculations suggest that the nature of the alkene and of the acid HX released in the HX/alkene exchange step that precedes C-C bond formation could be responsible for the experimentally observed differences in reaction efficiencies.

AMIDE DERIVATIVES AND DRUGS

The present invention provides an amide derivative represented by the following formula [1]: wherein n represents 0 or 1; X represents CR4 or N; Y represents CR6 or N; Z represents CR7 or N; R1 and R2 may be the same or different and each represents hydrogen, optionally substituted alkyl, acyl, optionally substituted aryl, or an optionally substituted aromatic heterocyclic group; R4, R5, R6 and R7 may be the same or different and each represents hydrogen, halogen, hydroxy, amino, alkyl, haloalkyl, alkoxy, monoalkylamino, dialkylamino, arylalkyl, cyano, or nitro; and R3 represents optionally substituted alkylamino, optionally substituted arylamino, or optionally substituted cyclic amino, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising them as an active ingredient. The compound of the present invention is useful as a TGF-β inhibitor.