123690-78-8

Basic information

• Product Name: P-(3-aMinopropyl)-P-butyl-Phosphinic acid
• Synonyms: P-(3-aMinopropyl)-P-butyl-Phosphinic acid;CGP36742;SGS 742;3-aminopropyl(butyl)phosphinic acid
• CAS NO: 123690-78-8
• Molecular Formula: C₇H₁₈NO₂P
• Molecular Weight: 179.197081
• EINECS: -0
• Mol File: 123690-78-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 383.9°Cat760mmHg
• Flash Point: 186°C
• Appearance: white to beige/
• Density: 1.057g/cm³
• Vapor Pressure: 5.85E-07mmHg at 25°C
• Refractive Index: 1.46
• Storage Temp.: room temp
• Solubility: H2O: soluble10mg/mL (clear solution, warmed)
• PKA: 2.91±0.50(Predicted)
• CAS DataBase Reference: P-(3-aMinopropyl)-P-butyl-Phosphinic acid(CAS DataBase Reference)
• NIST Chemistry Reference: P-(3-aMinopropyl)-P-butyl-Phosphinic acid(123690-78-8)
• EPA Substance Registry System: P-(3-aMinopropyl)-P-butyl-Phosphinic acid(123690-78-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• WGK Germany: 3
• RTECS: SZ4113300
• Hazardous Substances Data: 123690-78-8(Hazardous Substances Data)

Usage

General Description

P-(3-aminopropyl)-P-butyl-phosphinic acid is a chemical compound with a molecular formula C8H20NO2P. It is a phosphinic acid derivative and contains both an amino-propyl and a butyl group. P-(3-aMinopropyl)-P-butyl-Phosphinic acid is of interest in medicinal chemistry and potentially has applications as a pharmaceutical agent due to its ability to modulate certain physiological processes. It may also be used as a building block for the synthesis of other compounds with biological activity. Its properties and potential uses make it a valuable target for further research and development in the pharmaceutical industry.

InChI:InChI=1/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)

Upstream product

• 1229613-75-5 propyl(n-butyl)phosphinic acid 
• 123691-65-6 3-(N-benzyloxycarbonylamino)-propyl(n-butyl)phosphinic acid 
• 935473-62-4 (3-benzyloxycarbonylamino-propyl)-butyl-phosphinic acid benzyl ester 

Relevant articles and documents

Alkylation of H-phosphinate esters under basic conditions

(Chemical Equation Presented) An efficient and general procedure was developed for the direct alkylation of H-phosphinate esters with LHMDS at low temperature. The simplicity of the reaction allows the use of various H-phosphinate esters and takes place with a wide range of electrophiles. The approach can be employed to access some GABA analogues or precursors to GABA analogues. The isolated yields are moderate to good. This is the first report of an alkylation with a secondary iodide or a primary chloride.

Substituted propane-phosphinic acid compounds

Compounds of the formula I STR1 wherein R denotes an aliphatic, cycloaliphatic, cycloaliphatic-aliphatic or araliphatic radical having 2 or more carbon atoms, and wherein one of the groups R1, R2 and R3 represents hydrogen or an aliphatic, cycloaliphatic, araliphatic or aromatic radical, another one of R1, R2 and R3 is hydrogen or, in the case of R1 and R2, is hydroxy, and the remaining one of R1, R2 and R3 is hydrogen, or wherein R denotes methyl, R1 denotes hydrogen or hydroxy, R2 denotes an aromatic radical and R3 represents hydrogen, and their salts have GABAB -antagonistic properties and can be used as GABAB -antagonists. They are obtained when in a compound of formula II STR2 in which R, R1, R2 and R3 have their previous significances, Z represents --NH2 and R4 denotes a hydroxy-protective group R5 or, when R1 and R3 denote hydrogen and R2 denotes hydrogen or alkyl, denotes an alkali metal or ammonium ion R6, or Z represents a protected or latent amino group Z0 and R4 denotes hydrogen or a hydroxy-protective group R5, any group R5 or R6 is replaced by hydrogen, and/or any group Z0 is converted into --NH2.

Substituted propane-phosphinic acid compounds

Compounds of the formula I STR1 wherein R denotes an aliphatic, cycloaliphatic, cycloaliphatic-aliphatic or araliphatic radical having 2 or more carbon atoms, and wherein one of the groups R1, R2 and R3 represents hydrogen or an aliphatic, cycloaliphatic, araliphatic or aromatic radical, another one of R1, R2 and R3 is hydrogen or, in the case of R1 and R2, is hydroxy, and the remaining one of R1, R2 and R3 is hydrogen, or wherein R denotes methyl, R1 denotes hydrogen or hydroxy, R2 denotes an aromatic radical and R3 represents hydrogen, and their salts have GABAB -antagonistic properties and can be used as GABAB -antagonists. They are obtained when in a compound of formula II STR2 in which R, R1, R2 and R3 have their previous significances, Z represents --NH2 and R4 denotes a hydroxy-protective group R5 or, when R1 and R3 denote hydrogen and R2 denotes hydrogen or alkyl, denotes an alkali metal or ammonium ion R6, or Z represents a protected or latent amino group Z° and R4 denotes hydrogen or a hydroxy-protective group R5, any group R5 or R6 is replaced by hydrogen, and/or any group Z° is converted into --NH2.