6557-85-3

Basic information

• Product Name: DIETHYL (6-BROMOHEXYL)MALONATE
• Synonyms: DIETHYL (6-BROMOHEXYL)MALONATE
• CAS NO: 6557-85-3
• Molecular Formula: C₁₃H₂₃BrO₄
• Molecular Weight: 323.22
• Mol File: 6557-85-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 336.5 °C at 760 mmHg
• Flash Point: 157.3 °C
• Appearance: /
• Density: 1.225 g/cm³
• Vapor Pressure: 0.000112mmHg at 25°C
• Refractive Index: 1.469
• PKA: 12.91±0.59(Predicted)
• CAS DataBase Reference: DIETHYL (6-BROMOHEXYL)MALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL (6-BROMOHEXYL)MALONATE(6557-85-3)
• EPA Substance Registry System: DIETHYL (6-BROMOHEXYL)MALONATE(6557-85-3)

Safety Data

• Hazardous Substances Data: 6557-85-3(Hazardous Substances Data)

Usage

General Description

DIETHYL (6-BROMOHEXYL)MALONATE is a chemical compound that is derived from malonic acid and has the formula C14H25BrO4. It is commonly used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. DIETHYL (6-BROMOHEXYL)MALONATE is characterized by its long hydrocarbon chain and bromine substitution, making it suitable for reactions involving nucleophilic substitution and esterification. It is important to handle DIETHYL (6-BROMOHEXYL)MALONATE with care as it can be harmful if ingested or inhaled, and may cause irritation to the skin and eyes upon contact.

InChI:InChI=1/C13H23BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10-14/h11H,3-10H2,1-2H3

Upstream product

• 629-03-8 1 ,6-dibromohexane 
• 105-53-3 diethyl malonate 
• 996-82-7 sodium diethylmalonate 

Downstream Products

• 64-17-5 ethanol 
• 17696-11-6 8-bromooctanoic acid 
• 344600-09-5 18-(Toluene-4-sulfonyloxy)-octadec-9-ynoic acid 
• 344600-04-0 18-(Toluene-4-sulfonyloxy)-octadecanoic acid 
• 344583-52-4 16-(Toluene-4-sulfonyloxy)-hexadec-9-ynoic acid 
• 76298-42-5 17-(Toluene-4-sulfonyloxy)-heptadecanoic acid 
• 344574-34-1 15-(Toluene-4-sulfonyloxy)-pentadec-9-ynoic acid 
• 97462-92-5 16-p-toluenesulfonyloxyhexadecanoic acid 
• 97462-95-8 15-(Toluene-4-sulfonyloxy)-pentadecanoic acid 
• 57491-61-9 16-Tosyloxy-9-hexadecensaeure 
• 57491-62-0 16-tosyloxy-(Z)-9-hexadecenoic acid 
• 17643-36-6 9-decyn-1-ol 
• 3155-42-8 18-hydroxystearic acid 
• 60451-92-5 17-Iodheptadecansaeure 

Relevant articles and documents

Synthesis method of ethyl 8-bromocaprylate

The invention provides a synthesis method of ethyl 8-bromocaprylate, which comprises the following steps: S1, carrying out substitution reaction on 1,6-dibromohexane and diethyl malonate to obtain a compound 2-(6-bromohexyl)-diethyl malonate; S2, enabling the 2-(6-bromohexyl)-diethyl malonate to carry out ester hydrolysis and a decarboxylation reaction so as to obtain 8-bromocaprylic acid; and S3, carrying out an esterification reaction on the 8-bromocaprylic acid and absolute ethyl alcohol to obtain ethyl 8-bromocaprylate. According to the synthesis method of ethyl 8-bromocaprylate, disclosed by the embodiment of the invention, firstly, 1,6-dibromohexane initial raw material and diethyl malonate are subjected to substitution reaction to generate 2-(6-bromohexyl) diethyl malonate, and then ester hydrolysis and decarboxylation reaction are carried out to obtain 8-bromocaprylic acid; and finally,esterification reaction is carried out to generate ethyl 8-bromocaprylate. The raw materials are easy to obtain, side reactions in the reaction are few, the process is simple, and the method is suitable for industrial production, and has a very wide application prospect.

The synthesis of new potential photosensitizers. 1. Mono-carboxylic acid derivatives of tetraphenylporphyrin

A series of mono-alkylcarboxylic acid derivatives of tetraphenylporphyrin have been prepared. All the porphyrins were completely characterized by use of mass, 1H NMR, UV-visible, and fluorescence spectroscopy. Experimental log P were determined

Thermal properties of liquid-crystalline diols and corresponding bis-urethanes with mesogenic groups of various structures in side chains

The liquid-crystalline dials with mesogenic groups of different structures were synthetized and their temperature behavior and existence of mesophases were determined. These compounds were also reacted with phenylisocyanate to form bis-urethanes at the ra