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Cyclopentanecarboxylic acid, 1-methyl-, also known as 1-methylcyclopentanecarboxylic acid, is a chemical compound with the molecular formula C6H10O2. It is a carboxylic acid featuring a methyl group attached to the first carbon of the cyclopentane ring. Cyclopentanecarboxylic acid, 1-methylis recognized for its stability and low toxicity, making it suitable for various applications in the chemical and pharmaceutical industries.

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  • 5217-05-0 Structure
  • Basic information

    1. Product Name: Cyclopentanecarboxylic acid, 1-methyl-
    2. Synonyms: Cyclopentanecarboxylic acid, 1-methyl-;1-methylcyclopentanecarboxylic acid(SALTDATA: FREE);1-methyl-1-cyclopentanecarboxylic acid
    3. CAS NO:5217-05-0
    4. Molecular Formula: C7H12O2
    5. Molecular Weight: 128.17
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5217-05-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 219°C (estimate)
    3. Flash Point: 103.1°C
    4. Appearance: /
    5. Density: 1.0218
    6. Refractive Index: 1.4529 (estimate)
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 5.00±0.20(Predicted)
    10. CAS DataBase Reference: Cyclopentanecarboxylic acid, 1-methyl-(CAS DataBase Reference)
    11. NIST Chemistry Reference: Cyclopentanecarboxylic acid, 1-methyl-(5217-05-0)
    12. EPA Substance Registry System: Cyclopentanecarboxylic acid, 1-methyl-(5217-05-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5217-05-0(Hazardous Substances Data)

5217-05-0 Usage

Uses

Used in Pharmaceutical Synthesis:
Cyclopentanecarboxylic acid, 1-methyl-, is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drug molecules with potential therapeutic applications.
Used in Organic Compounds Synthesis:
Cyclopentanecarboxylic acid, 1-methylserves as a versatile building block in the synthesis of other organic compounds, contributing to the advancement of organic chemistry and the creation of novel materials with diverse properties.
Used in Flavors and Fragrances Production:
Cyclopentanecarboxylic acid, 1-methyl-, is employed as an intermediate in the production of flavors and fragrances, enhancing the sensory experience of various consumer products by imparting unique scents and tastes.
Used in Chemical Industry:
Due to its stability and low toxicity, Cyclopentanecarboxylic acid, 1-methyl-, finds applications in the chemical industry for the development of new compounds and materials with specific properties tailored for various uses.

Check Digit Verification of cas no

The CAS Registry Mumber 5217-05-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,2,1 and 7 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5217-05:
(6*5)+(5*2)+(4*1)+(3*7)+(2*0)+(1*5)=70
70 % 10 = 0
So 5217-05-0 is a valid CAS Registry Number.

5217-05-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methylcyclopentanecarboxylic acid

1.2 Other means of identification

Product number -
Other names 1-Methyl-cyclopentanoic acid

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:5217-05-0 SDS

5217-05-0Relevant articles and documents

Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides

Schmid, Matthias,Sokol, Kevin R.,Wein, Lukas A.,Torres Venegas, Sofia,Meisenbichler, Christina,Wurst, Klaus,Podewitz, Maren,Magauer, Thomas

supporting information, p. 6526 - 6531 (2020/09/02)

We report our studies on the development of a catalytic cycloisomerization of 2,2-disubstituted neopentylic epoxides to produce highly substituted tetralins and chromanes. Termination of the sequence occurs via Friedel-Crafts-type alkylation of the remote (hetero)arene linker. The transformation is efficiently promoted by sulfuric acid and proceeds best in 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) as the solvent. Variation of the substitution pattern provided detailed insights into the migration tendencies and revealed a competing disproportionation pathway of dihydronaphthalenes.

5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR

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Page/Page column 31-32, (2019/01/16)

Provided are 5-(pyridin-3-yl) oxazole compounds, the compositions comprising these compounds and the uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR

-

Page/Page column 30-31, (2019/01/16)

The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF

-

, (2019/04/05)

Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

3- (1H-PYRAZOL-4-YL) PYRIDINEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR

-

Page/Page column 42, (2017/07/14)

The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

Stereospecific Construction of Contiguous Quaternary All-Carbon Centers by Oxidative Ring Contraction

Yu, Xin,Hu, Jiadong,Shen, Zhigao,Zhang, Hui,Gao, Jin-Ming,Xie, Weiqing

, p. 350 - 353 (2016/12/30)

Oxidative ring contraction of cyclic α-formyl ketones was facilitated by the action of H2O2under operationally simple and environmentally benign reaction conditions. The process was highly regioselective and enables stereospecific construction of contiguous quaternary all-carbon centers from stereodefined all-substituted all-cyclic ketones. The asymmetric syntheses of (+)-cuparene and (+)-tochuinyl acetate were also successively achieved by taking advantage of this novel protocol.

New Strategy for Forging Contiguous Quaternary Carbon Centers via H 2 O 2 -Mediated Ring Contraction

Hu, Jiadong,Yu, Xin,Xie, Weiqing

, p. 2517 - 2524 (2017/09/28)

Stereospecific construction of contiguous quaternary carbon centers constitutes a major challenge in natural product synthesis. A general protocol that enables stereospecific construction of all stereoisomers of such a moiety remains elusive. In this article, we will discuss the oxidative ring contraction of all-substituted cyclic α-formyl ketones mediated by H 2 O 2, which provides a facile access to the stereospecific construction of contiguous quaternary carbon centers.

Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones

Li, Mingliang,Yang, Yudong,Zhou, Danni,Wan, Danyang,You, Jingsong

, p. 2546 - 2549 (2015/05/27)

(Chemical Equation Presented). Through the nickel-catalyzed chelation-assisted C-H bond activation strategy, the addition-type alkenylation of unreactive β-C(sp3)-H bonds of aliphatic amides with internal alkynes is developed for the first time to produce γ,δ-unsaturated carboxylic amide derivatives. The resulting alkenylated products can further be transformed into polysubstituted γ-butyrolactones with pyridinium chlorochromate (PCC).

Palladium-catalyzed C(sp3)-H activation: A facile method for the synthesis of 3,4-dihydroquinolinone derivatives

Yan, Jia-Xuan,Li, Hu,Liu, Xiang-Wei,Shi, Jiang-Ling,Wang, Xin,Shi, Zhang-Jie

supporting information, p. 4945 - 4949 (2014/05/20)

3,4-Dihydroquinolinones were synthesized by the palladium-catalyzed, oxidative-addition-initiated activation and arylation of inert C(sp 3)-H bonds. Pd(OAc)2 and P(o-tol)3 were used as the catalyst and ligand, respectively, to improve the efficiency of the reaction. A further advantage of this reaction is that it could be performed in air. A relatively rare seven-membered palladacycle was proposed as a key intermediate of the catalytic cycle.

β-Arylation of carboxamides via iron-catalyzed C(sp3)-H bond activation

Shang, Rui,Ilies, Laurean,Matsumoto, Arimasa,Nakamura, Eiichi

, p. 6030 - 6032,3 (2013/05/22)

A 2,2-disubstituted propionamide bearing an 8-aminoquinolinyl group as the amide moiety can be arylated at the β-methyl position with an organozinc reagent in the presence of an organic oxidant, a catalytic amount of an iron salt, and a biphosphine ligand at 50 C. Various features of selectivity and reactivity suggest the formation of an organometallic intermediate via rate-determining C-H bond cleavage rather than a free-radical-type reaction pathway.

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