115694-04-7

Basic information

• Product Name: 1,3-Propanediol, 2-(5-bromopentyl)-
• CAS NO: 115694-04-7
• Molecular Formula: C8H17BrO2
• Molecular Weight: 225.126
• Mol File: 115694-04-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3-Propanediol, 2-(5-bromopentyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol, 2-(5-bromopentyl)-(115694-04-7)
• EPA Substance Registry System: 1,3-Propanediol, 2-(5-bromopentyl)-(115694-04-7)

Safety Data

• Hazardous Substances Data: 115694-04-7(Hazardous Substances Data)

Upstream product

• 1906-95-2 5-bromopentylmalonic acid diethyl ester 

Relevant articles and documents

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.