1133-54-6

Upstream product

• 1136-01-2 3-(4-methoxy-phenyl)-3-methyl-butyric acid 
• 858216-93-0 3-(4-methoxy-phenyl)-3-methyl-butyric acid ethyl ester 
• 166978-00-3 6-hydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 
• 7403-42-1 4-Methyl-4-phenyl-2-pentanone 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 638-10-8 ethyl 3-methylbut-2-enoate 
• 5720-07-0 4-methoxyphenylboronic acid 
• 13455-80-6 2-cyano-3-(4-methoxy-phenyl)-crotonic acid ethyl ester 
• 1149-92-4 Methyl-2-cyano-3-(p-methoxyphenyl)-3-methylbutanoat 
• 71-43-2 benzene 
• 67159-79-9 3,3-dimethyl-6-nitro-indan-1-one 
• 1010-48-6 3-methyl-3-phenylbutanoic acid 

Downstream Products

• 170493-64-8 Ro 60-0383 

Relevant academic research and scientific papers

Synthesis of β,β-disubstituted indanones via the Pd-catalyzed tandem conjugate addition/cyclization reaction of arylboronic acids with α,β-unsaturated esters

Under Pd catalysis with a newly synthesized electron-deficient heterocycle, 2-(4,5-dihydroimidazol-2-yl)- pyrimidine (as the ligand), the reaction of α,β-unsaturated esters with arylboronic acids afforded a wide range of 3,3-disubstituted indan-1-ones bearing a quaternary carbon in high yields. Mechanistic studies revealed that the reaction involves a tandem conjugate addition/1,4-Pd shift followed by a cyclization.

Process for Preparation of Isochroman and Derivatives Thereof

The present invention relates to an improved process for preparing compounds of formula 1 on an industrial scale, wherein R1, R2 and R3 are independently C1-6-alkyl, C2-6-alkenyl, C2-6-alky

Steric Effects. A Study of a Rationally Designed System

The principles for the rational design of systems suitable for the study of steric effects are defined.A suitable molecular framework was synthesized and a study of internal rotaition by dynamic NMR spectroscopy (DNMR) 0f 33 derivatives, differing principally in the nature of the molecular fragment (X), showed the following. (i) For 1 (Y = Me; X = halogen) the rotaition barriers (ΔG excit.) increase smoothly and monotonically with the van der Waals radius of X (rx), which permits the estimation of effective rx for fragments of lower symmetry. (ii) The rotational barriers are the sum of additive contributions, designated interference values (IH-X), which can be used to predict the rotational barriers in 2,2'-disubstituted biphenyls. (iii) A simple geometrical parameter, apparent overlap (r*), which is related to the distortion of the framework in the transition state, is proposed and found to have an excellent linear correlation with the barrier to rotation in 2,2'-disubstituted biphenyls. (iv) This correlation can be used for a semiquantitative estimation of rotational barriers in biaryls and other systems.