20291-40-1

Basic information

• Product Name: methyl hydrogen heptane-1,7-dioate
• Synonyms: Heptanedioic acid, monomethyl ester;Heptanedioic acid 1-methyl ester;Pimelic acid 1-hydrogen 7-methyl ester;Pimelic acid 1-methyl ester;Pimelic acid hydrogen 1-methyl ester;methyl hydrogen heptane-1,7-dioate
• CAS NO: 20291-40-1
• Molecular Formula: C₈H₁₄O₄
• Molecular Weight: 174.19436
• EINECS: 243-693-7
• Mol File: 20291-40-1.mol
• Article Data: 15

Chemical Properties

• Melting Point: 5 °C
• Boiling Point: 272.5°Cat760mmHg
• Flash Point: 104.3°C
• Appearance: /
• Density: 1.097g/cm³
• Vapor Pressure: 0.00169mmHg at 25°C
• Refractive Index: 1.447
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.72±0.10(Predicted)
• CAS DataBase Reference: methyl hydrogen heptane-1,7-dioate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl hydrogen heptane-1,7-dioate(20291-40-1)
• EPA Substance Registry System: methyl hydrogen heptane-1,7-dioate(20291-40-1)

Safety Data

• Hazardous Substances Data: 20291-40-1(Hazardous Substances Data)

Usage

General Description

Methyl hydrogen heptane-1,7-dioate is an organic compound with the chemical formula C9H16O4. It is a diester, which means it is a type of chemical compound that is formed from two alcohol groups and two carboxylic acid groups. Methyl hydrogen heptane-1,7-dioate has a fruity odor and is commonly used as a flavoring agent in the food industry, particularly in the manufacturing of fruit and berry flavors. It can also be used as a fragrance in perfumes and cosmetics. Additionally, it may have potential applications in the pharmaceutical and chemical industries. However, it is important to handle this chemical with care, as it may be flammable and harmful if ingested or inhaled.

InChI:InChI=1/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)

Upstream product

• 16580-35-1 1-methoxy-1-hydroperoxycyclohexane 
• 67-56-1 methanol 
• 111-16-0 heptanedioic acid 
• 1732-08-7 dimethyl 1,7-heptanedioate 
• 14273-90-6 methyl 6-bromohexanoate 
• 124-38-9 carbon dioxide 
• 78019-66-6 Methyl 4-bromohexanoate 
• 41796-82-1 methyl 5-bromohexanoate 
• 186581-53-3 diazomethane 
• 110-86-1 pyridine 
• 3878-55-5 methyl hydrogen succinate 
• 54322-10-0 glutaric acid monobenzyl ester 
• 124-41-4 sodium methylate 

Downstream Products

• 1632-99-1 ethane-d6 
• 106-70-7 methyl hexanoate 
• 1731-79-9 dodecanedioic acid dimethyl ester 
• 78632-03-8 6-[2-(3,4-Dimethoxy-phenyl)-ethylcarbamoyl]-hexanoic acid methyl ester 

Relevant articles and documents

Stereoselective Synthesis, Configurational Assignment and Biological Evaluations of the Lipid Mediator RvD2n-3 DPA

Herein we report the first total synthesis of RvD2n-3 DPA, an endogenously formed mediator biosynthesized from the omega-3 fatty acid n-3 docosapentaenoic acid. The key steps are the Midland Alpine borane reduction, Sonogashira cross-coupling reactions, and a Z-selective alkyne reduction protocol, yielding RvD2n-3 DPA methyl ester in 13 % yield over 12 steps (longest linear sequence). The physical property data (UV chromophore, chromatography and MS/MS fragmentation) of the synthetic lipid mediator matched those obtained from biologically produced material. Moreover, synthetic RvD2n-3 DPA also carried the potent biological activities of enhancing macrophage uptake of Staphylococcus aureus and zymosan A bioparticles.

CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS

The present invention relates to a method of reacting starting materials with an activating group, namely alkanes carrying a leaving group and/or olefins, with carbon dioxide under transition metal catalysis to give carboxyl group-containing products. It is a special feature of the method of the present invention that the carboxylation predominantly takes place at a preferred position of the molecule irrespective of the position of the activating group. The carboxylation position is either an aliphatic terminus of the molecule or it is a carbon atom adjacent to a carbon carrying an electron withdrawing group. The course of the reaction can be controlled by appropriately choosing the reaction conditions to yield the desired regioisomer.

A Fluorescence-Lifetime-Based Binding Assay for Class IIa Histone Deacetylases

Class IIa histone deacetylases (HDACs) show extremely low enzymatic activity and no commonly accepted endogenous substrate is known today. Increasing evidence suggests that these enzymes exert their effect rather through molecular recognition of acetylated proteins and recruiting other proteins like HDAC3 to the desired target location. Accordingly, class IIa HDACs like bromodomains have been suggested to act as “Readers” of acetyl marks, whereas enzymatically active HDACs of class I or IIb are called “Erasers” to highlight their capability to remove acetyl groups from acetylated histones or other proteins. Small-molecule ligands of class IIa histone deacetylases (HDACs) have gained tremendous attention during the last decade and have been suggested as pharmaceutical targets in several indication areas such as cancer, Huntington's disease and muscular atrophy. Up to now, only enzyme activity assays with artificial chemically activated trifluoroacetylated substrates are in use for the identification and characterization of new active compounds against class IIa HDACs. Here, we describe the first binding assay for this class of HDAC enzymes that involves a simple mix-and-measure procedure and an extraordinarily robust fluorescence lifetime readout based on [1,3]dioxolo[4,5-f]benzodioxole-based ligand probes. The principle of the assay is generic and can also be transferred to class I HDAC8.