32827-16-0

Basic information

• Product Name: 4-methyl-4-nitropentanoic acid
• Synonyms: 4-methyl-4-nitropentanoic acid;4-methyl-4-nitro-valeric acid
• CAS NO: 32827-16-0
• Molecular Formula: C₆H₁₁NO₄
• Molecular Weight: 161.15584
• Mol File: 32827-16-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 306.3°Cat760mmHg
• Flash Point: 137.7°C
• Appearance: /
• Density: 1.193g/cm³
• Vapor Pressure: 0.000177mmHg at 25°C
• Refractive Index: 1.466
• CAS DataBase Reference: 4-methyl-4-nitropentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-4-nitropentanoic acid(32827-16-0)
• EPA Substance Registry System: 4-methyl-4-nitropentanoic acid(32827-16-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 32827-16-0(Hazardous Substances Data)

Usage

General Description

4-methyl-4-nitropentanoic acid is a chemical compound with the molecular formula C6H11NO4. It is a yellow crystalline solid that is commonly used in the synthesis of pharmaceuticals and agrochemicals. 4-methyl-4-nitropentanoic acid is a nitroalkane carboxylic acid, which means it contains both a nitro group and a carboxylic acid group. It is also known for its ability to act as a building block in the synthesis of various complex organic molecules. Additionally, 4-methyl-4-nitropentanoic acid has been studied for its potential use in medicine and as a precursor in organic chemistry reactions. Overall, this compound is important in the field of organic chemistry and chemical synthesis.

InChI:InChI=1/C6H11NO4/c1-6(2,7(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)

Upstream product

• 16507-00-9 4-methyl-4-nitrovaleronitrile 
• 16507-02-1 methyl 4-methyl-4-nitropentanoate 
• 627539-06-4 tert-butyl 4-methyl-4-nitropentanoate 
• 23102-02-5 ethyl 4-methyl-4-nitro-pentanoate 

Downstream Products

• 2758-18-1 3-Methyl-2-cyclopenten-1-one 
• 75180-29-9 N-benzyl-4-methyl-4-nitropentanoic acid amide 
• 53684-51-8 Dinitro-1,6-tetramethyl-1,1,6,6-hexan 
• 91492-36-3 4-Methyl-4-nitro-pentanoic acid 2,2-dinitro-propyl ester 
• 3123-97-5 dihydro-5,5-dimethyl-2(3H)-furanone 

Relevant articles and documents

Linear analogues of acid- and ester-terminated polyamido dendrimers: Design, syntheses, and physical properties

The synthesis of linear, unnatural amines and carboxylic acids, based on amide connectivity and possessing identical repeat unit architecture to that of analogous dendrimers, was undertaken to assess and compare their physical characteristics. For the series, unexpected insoluble behavior was observed at low molecular weights in contrast to their branched counterparts or other known linear dendritic analogs. Molecular modeling suggests a high degree of intra- and inter-molecular H-bonding for the series. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV

The invention aims to provide a dipeptidyl peptidase IV inhibitor which is satisfactory in respect of activity, stability and safety and has an excellent action as a pharmaceutical agent. The invention is directed to a compound represented by the following general formula or a pharmaceutically acceptable salt thereof: wherein R1 and R2 each represents hydrogen, an optionally substituted C1-6 alkyl group, or -COOR5 whereupon R5 represents hydrogen or an optionally substituted C1-6 alkyl group, or R1 and R2, together with a carbon atom to which they are bound, represent a 3- to 6-membered cycloalkyl group, R3 represents hydrogen or an optionally substituted C6-10 aryl group, R4 represents a hydrogen or a cyano group, D represents -CONR6-, -CO- or -NR6CO-, R6 represents hydrogen or an optionally substituted C1-6 alkyl group, E represents -(CH2)m- whereupon m is an integer of 1 to 3, -CH2OCH2-, or -SCH2-, n is an integer of 0 to 3, and A represents an optionally substituted bicyclic heterocyclic group or bicyclic hydrocarbon group.

Producing substituted 2-cyclopentenones

A process is provided for producing substituted 2-cyclopentenones represented by the general formula: STR1 where R1, R2, R3, R4, and R5 are hydrogen or lower aliphatic hydrocarbyl groups. The process comprises treating a nitroalkane with a substituted acrylic acid ester in the presence of a base, followed by saponification, to yield a substituted 4-nitropentanoic acid which acid is then treated with strong acid under dehydrative conditions to yield the subject 2-cyclopentenone.