3974-36-5

Basic information

• Product Name: HexylMalonicAcid
• Synonyms: HexylMalonicAcid;Heptane-1,1-dicarboxylic acid
• CAS NO: 3974-36-5
• Molecular Formula: C₉H₁₆O₄
• Molecular Weight: 188.22094
• Mol File: 3974-36-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 353.5°C at 760 mmHg
• Flash Point: 181.8°C
• Appearance: /
• Density: 1.128g/cm³
• Vapor Pressure: 6.03E-06mmHg at 25°C
• Refractive Index: 1.473
• CAS DataBase Reference: HexylMalonicAcid(CAS DataBase Reference)
• NIST Chemistry Reference: HexylMalonicAcid(3974-36-5)
• EPA Substance Registry System: HexylMalonicAcid(3974-36-5)

Safety Data

• Hazardous Substances Data: 3974-36-5(Hazardous Substances Data)

Usage

General Description

Hexylmalonic acid, also known as hexylpropanedioic acid, is a chemical compound with the formula C8H14O4. It is a dicarboxylic acid, meaning it contains two carboxylic acid functional groups. The "hexyl" in its name indicates that it has a six-carbon alkyl chain. Hexylmalonic acid is used as an intermediate in the synthesis of various pharmaceuticals and organic compounds. It is also used in the manufacturing of polymers and adhesives. It has a wide range of applications in the chemical industry due to its ability to react with other compounds to form new complex molecules.

InChI:InChI=1/C9H16O4/c1-2-3-4-5-6-7(8(10)11)9(12)13/h7H,2-6H2,1H3,(H,10,11)(H,12,13)

Upstream product

• 108127-84-0 hexylmalonyl dichloride 
• 92017-12-4 Antimycinolactol A₁ 
• 111-64-8 n-octanoic acid chloride 
• 122459-92-1 Hexylmalonsaeure-dimethylester 
• 638-45-9 1-Iodohexane 
• 5398-10-7 diethyl 2-hexylmalonate 

Downstream Products

• 100905-25-7 1-phenyldec-1-yn-3-one 
• 644-90-6 2-aminooctanoic acid 
• 2623-82-7 2-bromooctanoic acid 
• 56705-47-6 1-phenyldecan-3-one 

Relevant articles and documents

Xanthenylacetic Acid Derivatives Effectively Target Lysophosphatidic Acid Receptor 6 to Inhibit Hepatocellular Carcinoma Cell Growth

Despite the increasing incidence of hepatocellular carcinoma (HCC) worldwide, current pharmacological treatments are still unsatisfactory. We have previously shown that lysophosphatidic acid receptor 6 (LPAR6) supports HCC growth and that 9-xanthenylacetic acid (XAA) acts as an LPAR6 antagonist inhibiting HCC growth without toxicity. Here, we synthesized four novel XAA derivatives, (±)-2-(9H-xanthen-9-yl)propanoic acid (compound 4 – MC9), (±)-2-(9H-xanthen-9-yl)butanoic acid (compound 5 – MC6), (±)-2-(9H-xanthen-9-yl)hexanoic acid (compound 7 – MC11), and (±)-2-(9H-xanthen-9-yl)octanoic acid (compound 8 – MC12, sodium salt) by introducing alkyl groups of increasing length at the acetic α-carbon atom. Two of these compounds were characterized by X-ray powder diffraction and quantum mechanical calculations, while molecular docking simulations suggested their enantioselectivity for LPAR6. Biological data showed anti-HCC activity for all XAA derivatives, with the maximum effect observed for MC11. Our findings support the view that increasing the length of the alkyl group improves the inhibitory action of XAA and that enantioselectivity can be exploited for designing novel and more effective XAA-based LPAR6 antagonists.