86996-26-1

Basic information

• Product Name: 1-isobutyrylpiperidin-4-one
• Synonyms: Albb-003858;1-isobutyrylpiperidin-4-one(SALTDATA: FREE);4-Piperidinone, 1-(2-Methyl-1-oxopropyl)-;N-isobutyryl-4-piperidone;1-isobutyrylpiperidin-4-one
• CAS NO: 86996-26-1
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.23
• Mol File: 86996-26-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 247.9°C at 760 mmHg
• Flash Point: 96.2°C
• Appearance: /
• Density: 1.066g/cm³
• Vapor Pressure: 0.025mmHg at 25°C
• Refractive Index: 1.481
• CAS DataBase Reference: 1-isobutyrylpiperidin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-isobutyrylpiperidin-4-one(86996-26-1)
• EPA Substance Registry System: 1-isobutyrylpiperidin-4-one(86996-26-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 86996-26-1(Hazardous Substances Data)

Usage

General Description

1-Isobutyrylpiperidin-4-one, also known as N-Isobutyrylpiperidin-4-one or IBP, is a chemical compound with the chemical formula C11H19NO. It is a substituted piperidinone, which means it contains a piperidine ring with a carbonyl group attached to it. IBP is commonly used as an intermediate in the production of pharmaceuticals and agrochemicals due to its versatile chemical properties. It can also be used as a building block in the synthesis of other organic compounds. Additionally, IBP has potential medicinal and pharmacological applications, including as an analgesic and anti-inflammatory agent. Overall, 1-isobutyrylpiperidin-4-one is a valuable chemical with various industrial and biological uses.

InChI:InChI=1/C9H15NO2/c1-7(2)9(12)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3

Upstream product

• 79-30-1 isobutyryl chloride 

Relevant articles and documents

COMPOUND

There is provided a compound having Formula (I) wherein each of R1, R2, R4, R5, R6 and R7 are independently selected from (a) H, (b) R17, -OC(R17)3, -OCH(R17)2, -(OCH2R)17, -C(R17)3, -CH(R17)2, or -CH2R17 wherein R17 is a halogen; (c) -CN; (d) optionally substituted alkyl, (e) optionally substituted heteroalkyl; (f) optionally substituted aryl; (g) optionally substituted heteroaryl; (h) optionally substituted arylalkyl; (i) optionally substituted heteroarylalkyl; (j) hydroxy; (k) alkoxy; (l) aryloxy; (m) -SO2-alkyl; and (n) -N(R11)C(O)R13; wherein the optional substituents of (d) (e) (f) (h) and (i) are selected from the group consisting of: C1-6 alkyl, halo, cyano, nitro, haloalkyl, hydroxy, alkoxy, carboxy, carboxyalkyl, carboxamide, mercapto, amino, alkylamino, dialkylamino, sulfonyl, sulfonamido, aryl and heteroaryl ; each of rings A and B are selected from five or six membered carbon rings optionally containing one or more hetero atoms selected from N, S, and O and optionally having fused thereto a further ring; X is an optional group selected from O, S, S=O, S(=O)2, C=O, S(=O)2NR8, C=ONR9, NR10, wherein R8, R9 and R10 are independently selected from H and hydrocarbyl, wherein n and p are independently selected from O and 1 ; Y is (R11)1-3 wherein each R11 is independently selected from NR12, CR13R14, S(=O)2 and C=O, wherein R12, R13 and R14 are independently selected from H and hydrocarbyl; Z is selected from (i) six or seven membered ring containing carbon and at least one nitrogen, which may be optionally substituted wherein the substituents may together form further ring fused thereto; and (ii) a -R15-NR16- group wherein R15 is an optionally substituted C1-6 alkyl chain and R16 is selected from H and hydrocarbyl; and R3 is selected from Formula (A).