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Ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate is a spirocyclic chemical compound with the molecular formula C17H21NO3. It features a piperidine ring and an isobenzofuran moiety, and is widely recognized for its applications in the synthesis of pharmaceuticals and organic compounds. This versatile intermediate is valued for its unique structure and properties, making it a significant component in the development of new drugs and therapeutic agents within the pharmaceutical and chemical industries.

42191-83-3

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42191-83-3 Usage

Uses

Used in Pharmaceutical Synthesis:
Ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate is utilized as a key intermediate in the synthesis of various pharmaceutical products due to its ability to contribute to the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate serves as a building block for creating compounds with potential pharmacological properties, thereby playing a crucial role in drug discovery and design.
Used in Organic Compounds Synthesis:
ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate is also employed in the synthesis of other organic compounds, highlighting its versatility and importance in organic chemistry for creating a diverse range of chemical entities.
Used in Drug Development:
Ethyl 3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate is used as a precursor in drug development, where its unique structure aids in the creation of pharmaceuticals with specific therapeutic targets and mechanisms of action.
Used in Chemical Industry:
Its applications extend to the chemical industry, where it may be used in the production of specialty chemicals, fine chemicals, or as a component in complex chemical processes, further emphasizing its value in both research and commercial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 42191-83-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,1,9 and 1 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 42191-83:
(7*4)+(6*2)+(5*1)+(4*9)+(3*1)+(2*8)+(1*3)=103
103 % 10 = 3
So 42191-83-3 is a valid CAS Registry Number.

42191-83-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate

1.2 Other means of identification

Product number -
Other names I14-8526

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:42191-83-3 SDS

42191-83-3Downstream Products

42191-83-3Relevant articles and documents

METHOD FOR MANUFACTURE OF DIHYDROISOBENZOFURAN DERIVATIVES

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Page 10-11, (2010/02/06)

The present invention relates to a method for the manufacture of dihydroisobenzofurans of formula I; comprising generation a dianion of formula II, reaction of the dianion with a carbonyl compound of formula III and acidification of the reaction mixture t

Spiro-substituted piperidines as neurokinin receptor antagonists. I. Design and synthesis of (±)-N-[2-(3,4-Dichlorophenyl)-4- (spiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl)butyl]-N-methylbenzamide, YM- 35375, as a new lead compound for novel neurokinin receptor antagonists

Kubota, Hirokazu,Fujii, Masahiro,Ikeda, Ken,Takeuchi, Makoto,Shibanuma, Tadao,Isomura, Yasuo

, p. 351 - 354 (2007/10/03)

Analysis of the structural requirements of compound 1 (SR48968), a potent NK2 receptor antagonist, revealed that the 4-phenyl group of the piperidine is essential for binding with the NK2 receptor and occupies an equatorial position. Energy calculation of a variety of substituted 4-phenyl piperidines revealed that spiro[isobenzofuran-1(3H), 4'-piperidine] possesses a conformationally restricted equatorial phenyl group. Our compound 12 (YM- 35375) possessing this spiro-substituted piperidine bound to the NK2 receptor with an IC50 value of 84nM and to the NK1 receptor with an IC50 value of 710nM. It showed more potent inhibitory activity (ID50 41μg/kg (i.v.)) against [β-Ala8]-NKA(4-10)-induced bronchoconstriction in guinea pigs than (±)-SR48968 (ID50 68μg/kg (i.v.)). YM-35375 may be a new lead compound for novel NK2 receptor antagonists or NK1-NK2 dual antagonists.

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