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N-Boc-3-Methylpiperidin-4-one, also known by its IUPAC name tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate, is a chemical compound that belongs to the organic class of compounds known as piperidines. It features a piperidin-4-one backbone, with a methyl group and a tert-butyl group attached. This molecule is distinguished by its distinct polar as well as nonpolar sections, which confer it versatile chemical reactivity. It is typically prepared through synthetic means, rather than extracted from natural sources.

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  • 374794-77-1 Structure
  • Basic information

    1. Product Name: N-Boc-3-Methylpiperidin-4-one
    2. Synonyms: N-Boc-3-Methylpiperidin-4-one;4-Methyl-3-oxo-1-piperidinecarboxylic acid tert-butyl ester;4-Methyl-3-oxo-piperidine-1-carboxylic acid tert-butyl ester;tert-butyl 4-methyl-3-oxopiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-methyl-3-oxo-, 1,1-dimethylethyl ester
    3. CAS NO:374794-77-1
    4. Molecular Formula: C11H19NO3
    5. Molecular Weight: 213.27346
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 374794-77-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 298.8±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.060
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -1.67±0.40(Predicted)
    10. CAS DataBase Reference: N-Boc-3-Methylpiperidin-4-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-Boc-3-Methylpiperidin-4-one(374794-77-1)
    12. EPA Substance Registry System: N-Boc-3-Methylpiperidin-4-one(374794-77-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 374794-77-1(Hazardous Substances Data)

374794-77-1 Usage

Uses

Used in Pharmaceutical Industry:
N-Boc-3-Methylpiperidin-4-one is used as a component of blocks or precursors for the manufacturing of various drugs. Its versatile chemical reactivity and distinct polar as well as nonpolar sections make it a valuable compound in drug synthesis. It plays a crucial role in the development of new pharmaceutical products, contributing to the advancement of medicine and healthcare.

Check Digit Verification of cas no

The CAS Registry Mumber 374794-77-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,7,4,7,9 and 4 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 374794-77:
(8*3)+(7*7)+(6*4)+(5*7)+(4*9)+(3*4)+(2*7)+(1*7)=201
201 % 10 = 1
So 374794-77-1 is a valid CAS Registry Number.

374794-77-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (RS)-1,1-dimethylethyl 4-methyl-3-oxopiperidinecarboxylate

1.2 Other means of identification

Product number -
Other names N-BOC-3-METHYLPIPERIDIN-4-ONE

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:374794-77-1 SDS

374794-77-1Relevant articles and documents

CYCLIC COMPOUNDS AND METHODS OF USING SAME

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Page/Page column 186-187, (2021/07/02)

The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof which are MALT1 inhibitors. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases, such as cancer, autoimmune disorders, and inflammatory disorders.

Selective α-Methylation of Ketones

Frolov, Andriy I.,Ostapchuk, Eugeniy N.,Pashenko, Alexander E.,Chuchvera, Yaroslav O.,Rusanov, Eduard B.,Volochnyuk, Dmitriy M.,Ryabukhin, Sergey V.

, p. 7333 - 7346 (2021/06/28)

The convenient and scalable preparative approach for the two-step α-methylation of ketones is described. The optimized protocols for regioselective preparation of enaminones with further diastereoselective and functional groups tolerant hydrogenation to α-methylketones are developed. The scope and limitations of the proposed methodology are discussed. The advantages compared to known procedures are demonstrated. The unexpected role of acetone in the hydrogenation is suggested. The evaluation of the method for both early building block synthesis and late-stage CH-functionalization is shown. The elaborate procedures' preparability and scalability are demonstrated by the synthesis of several α-methyl ketones up to 100 g amount.

A method for synthesis of piperidine derivatives (by machine translation)

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Paragraph 0027; 0028, (2018/10/19)

The invention discloses a method for synthesis of piperidine derivatives. The piperidine derivatives of the formula (I) of the tartrate: Wherein R1 Is an amino protecting group, R2 Is phenyl or alkyl substituted phenyl, R3 Is C1 - C6 alkyl; by the piperidine derivative having the structural formula (II) with a compound L - tartaric acid reaction, then the obtained through separation, In the having piperidine 3 bit reference into the S on amino-substituted radical, can significantly improve the for tartaric acid from L - In the separate The effect of the. The method can be used for the synthesis of pharmaceutical Tofacitinib, in order to improve the yield of drug Tofacitinib. (by machine translation)

The protection of the nitrogen of (3R, 4R) -3 - methylamino -4 - methyl piperidine asymmetric synthesis method, relevant intermediate and a method for preparing raw materials thereof

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, (2016/10/09)

The invention relates to a preparation method of nitrogen protected (3R,4R)-3-methylamino-4-methylpiperidine (I). The method comprises the following steps: carrying out a reductive amination reaction on a compound of formula (III) and (R)-1-phenylethylamine to obtain a compound of formula (II), removing chiral prosthetic groups from the compound of formula (II), and adding a methyl group to the amino group of the compound of formula (II) in order to obtain nitrogen protected (3R,4R)-3-methylamino-4-methylpiperidine (I), wherein R in each of the formula (I), the formula (II) and the formula (III) is an amino protection group or hydrogen, and the amino protection group can be C1-4 alkoxycarbonyl, benzyloxycarbonyl or benzyl groups which can be removed through hydrolysis or hydrogenation. The asymmetric synthesis method of nitrogen protected (3R,4R)-3-methylamino-4-methylpiperidine (I) has the advantages of reasonable technology, concise route, obtaining of the required product in a high ee value manner by constructing two chiral centers through chiral induced one-step reductive amination, cheap raw materials, and no waste isomer emission, and is suitable for large-scale industrialized production.

Cyclohexyl derivatives and their use as therapeutic agents

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Page 26, (2010/02/03)

The present invention relates compounds of the formula (I): wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of: (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k), (l) and R1, R2, R3, R4, R5, R6, R7, R13, R14, R15, R16, R?17, R18, R19, R21a and R21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

Cyclohexane derivatives and their use as therapeutic agents

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Page 26, (2010/02/06)

The present invention relates compounds of formula (I), wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of formulae: (a), (b), (c), (d), and (e); and R1, R2, R3, R4, R5, R6, R7, R13, R14, R15, R16, R17, R21a and R21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

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