127168-94-9

Basic information

• Product Name: Methyl 2-benzylisoindoline-5-carboxylate
• Synonyms: Methyl 2-benzylisoindoline-5-carboxylate;2-Benzyl-2,3-dihydro-1H-isoindole-5-carboxylic acid Methyl ester;methyl 2-benzyl-2,3-dihydro-1H-isoindole-5-carboxylate
• CAS NO: 127168-94-9
• Molecular Formula: C₁₇H₁₇NO₂
• Molecular Weight: 267.32238
• Mol File: 127168-94-9.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 386.0±42.0 °C(Predicted)
• Appearance: /
• Density: 1.183±0.06 g/cm3(Predicted)
• PKA: 6.13±0.20(Predicted)
• CAS DataBase Reference: Methyl 2-benzylisoindoline-5-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-benzylisoindoline-5-carboxylate(127168-94-9)
• EPA Substance Registry System: Methyl 2-benzylisoindoline-5-carboxylate(127168-94-9)

Safety Data

• Hazardous Substances Data: 127168-94-9(Hazardous Substances Data)

Usage

General Description

Methyl 2-benzylisoindoline-5-carboxylate is a chemical compound with the molecular formula C18H17NO2. It is a white to off-white solid that is used in organic synthesis and pharmaceutical research. Methyl 2-benzylisoindoline-5-carboxylate is a derivative of isoindoline and contains a benzyl group and a carboxylate ester functional group. Methyl 2-benzylisoindoline-5-carboxylate has potential applications in the development of new drugs and can also be used as a building block in the production of other organic compounds. It is important to handle and store this chemical with care, following proper safety protocols and guidelines for handling hazardous substances.

Upstream product

• 56-23-5 tetrachloromethane 
• 38404-42-1 methyl 3,4-dimethylbenzoate 
• 619-04-5 3,4-dimethylbenzoic acid 
• 100-46-9 benzylamine 
• 20896-23-5 methyl 3,4-bis(bromomethyl)benzoate 

Downstream Products

• 263888-56-8 tert-butyl 5-cyanoisoindoline-2-carboxylate 
• 149353-71-9 2-(tert-butoxycarbonyl)isoindoline-5-carboxylic acid 
• 685565-60-0 N-[4-(3-piperidin-1-ylpropoxy)benzoyl]-5-cyanoisoindoline 
• 1239952-51-2 methyl 2-benzylisoindoline-5-carboxylate hydrochloride 
• 1187304-51-3 2-benzyl 5-methyl isoindoline-2,5-dicarboxylate 
• 368441-44-5 2-(tert-butyl) 5-methyl isoindoline-2,5-dicarboxylate 
• 127168-98-3 5-hydroxymethyl-2,3-dihydro-1H-isoindole 
• 854092-28-7 5-{[methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamoyl]-methyl}-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester 
• 253801-14-8 tert-butyl 5-(hydroxymethyl)-1,3-dihydro-2H-isoindole-2-carboxylate 
• 127169-16-8 (2-benzyl-2,3-dihydro-1H-isoindol-5-yl)1-methanol 

Relevant articles and documents

2-(4,5-DIHYDROISOXAZOL-3-YL)ISOINDOLINE-5-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES FOR CROP PROTECTION

The present invention discloses an isoxazoline compound of formula (I), Formula (I) wherein, R1, R3, Cy, A, D, p and q are as defined in the detailed description. The present invention further discloses methods for preparation of com

PHARMACEUTICAL COMPOUNDS

The invention provides a compound for use in medicine, the compound being a compound of the formula (VI0) or a salt, solvate, tautomer or N-oxide thereof: wherein the bicyclic group: is selected from the structures C1, C5 and C6: wherein n is 0, 1, 2 or 3; R1 is hydrogen, hydroxy, or O—Rz; R2a is hydroxy, methoxy or O—Rz; provided that at least one of R1 and R2a is O—Rz; Rz is Lp-Rp1; SO3H; a glucuronide residue; a mono-, di- or tripeptide residue; or Lp is a bond, C═O, (C═O)O, (C═O)NRp1 or S(O)xNRp1; x is 1 or 2; Rp1 is hydrogen or a an optionally substituted C1-25 hydrocarbyl group containing 0, 1 or 2 carbocyclic rings and 0, 1, 2, 3, 4, 5 or 6 carbon-carbon multiple bonds, provided that Rp1 is not hydrogen when Lp is a bond, C═O or (C═O)O; and provided also that O—Rz does not contain an O—O moiety; and excluding compounds wherein R1 is hydroxy and R2a is methoxy; Rp2 and Rp3 are the same or different and each is a group Rp1; and R3, R4a, R8 and R10 are defined in the claims. The compounds of formula (VI0) are pro-drugs of parent compounds wherein R1 and/or R2a are hydroxy, wherein the parent compounds have Hsp90 inhibiting activity.

HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90

The invention provides an acid addition salt of a compound of the formula (1) Also provided by the invention are processes for preparing the compound of formula (1) and alkyl analogues thereof, novel intermediates for use in the process and methods for preparing the intermediates. The invention also provides new medical uses of compounds of the formula (1) and its ethyl analogue.