1906-95-2

Basic information

• Product Name: (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER
• Synonyms: (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER;DIETHYL 5-BROMOAMYLMALONATE;DIETHYL (5-BROMOPENTYL)MALONATE;(5-Bromophentyl)malonic acdi diethyl ester;Bromophentylmalonicaciddiethylester;(5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER 95+%
• CAS NO: 1906-95-2
• Molecular Formula: C₁₂H₂₁BrO₄
• Molecular Weight: 309.2
• Mol File: 1906-95-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 161°C 3mm
• Flash Point: 147.5°C
• Appearance: /
• Density: 1,46 g/cm3
• Vapor Pressure: 0.000322mmHg at 25°C
• Refractive Index: 1.4580-1.4620
• PKA: 12.88±0.59(Predicted)
• CAS DataBase Reference: (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER(1906-95-2)
• EPA Substance Registry System: (5-BROMOPENTYL)MALONIC ACID DIETHYL ESTER(1906-95-2)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 1906-95-2(Hazardous Substances Data)

Usage

General Description

(5-Bromopentyl)malonic acid diethyl ester, also known as ethyl (5-bromopentyl)malonate, is a chemical compound with the molecular formula C11H19BrO4. It is a clear colorless to pale yellow liquid with a fruity odor. This chemical is commonly used in organic chemical synthesis as a reagent for the preparation of various organic compounds, and it is also used as an intermediate in the pharmaceutical industry. It is important to handle this compound with proper care and follow safety guidelines, as it can be harmful if ingested or inhaled, and it can cause irritation to the skin and eyes.

InChI:InChI=1/C12H21BrO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h10H,3-9H2,1-2H3

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 105-53-3 diethyl malonate 
• 996-82-7 sodium diethylmalonate 

Downstream Products

• 25462-23-1 2-pentylpropane-1,3-diol 
• 115694-04-7 (bromo-5 pentyl)-2 propanediol-1,3 
• 23433-05-8 1,3-octane diol 
• 34546-57-1 2-(6-methoxycarbonylhexyl)cyclopent-2-en-1-one 
• 5288-67-5 2-(6-carboxyhexyl)cyclopentanone 
• 1139-13-5 diethyl cyclohexane-1,1-dicarboxylate 
• 30515-28-7 7-bromoheptanoic acid 

Relevant articles and documents

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

Intramolecular photoreactions of phthalimide-alkene systems. Macrocyclic synthesis through the remote Paterno-Buchi reaction of phthalimide with indole derivatives

Upon irradiation, phthalimide-indole in bichromophoric systems underwent intramolecularly remote Paterno-Buchi reaction to give oxeto[2,3-b]indole derivatives containing macrocycles, in competition with Norrish type II reaction.

Synthese de l'acide (dimercapto-1,3 propyl-2)-15 pentadecanoique, complexant potentiel du 99mTc

The synthesis of 15-(1,3-dimercapto 2-propyl) pentadecanoic acid was performed in ten steps.One of these steps is the condensation of (5) with 7-bromoheptanoic acid.It is achieved in liquid ammonia or in a HMPA-THF medium with yields higher than 50 percent.In the second case a-5 bromoacid-ratio of 2.1 (slightly superior to the stoichiometry) is sufficient to obtain these yields, whereas in ammonia, the ratio must be higher than 5 and is therefore clearly unfavourable.The reaction times are also much longer in ammonia.The obtention of 5 from diethyl (6-bromohexyl) malonate 2 implies the reduction of ester functions and the substitution of Br by the ethynyl group.The optimal conditions and the sequence of these two steps have been determined.