505-47-5

Basic information

• Product Name: 3,3-BIS(N,N-DIPROPANOIC ACID)
• Synonyms: 3,3-BIS(N,N-DIPROPANOIC ACID);RARECHEM AL BO 0163;N-(2-carboxyethyl)-beta-alanine;3,3'-Iminodipropionic acid;N-(2-Carboxyethyl)-β-alanine;3-(2-carboxyethylamino)propanoic acid;3-(2-carboxyethylamino)propionic acid;b-Alanine, N-(2-carboxyethyl)-
• CAS NO: 505-47-5
• Molecular Formula: C₆H₁₁NO₄
• Molecular Weight: 161.16
• EINECS: 208-009-3
• Product Categories: pharmacetical
• Mol File: 505-47-5.mol

Chemical Properties

• Melting Point: 235-236 °C (decomp)
• Boiling Point: 394.2°Cat760mmHg
• Flash Point: 192.2°C
• Appearance: /
• Density: 1.282g/cm³
• Vapor Pressure: 2.59E-07mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: 0-10°C
• Solubility: Methanol (Slightly, Heated, Sonicated), Water (Slightly)
• PKA: 3.31±0.12(Predicted)
• CAS DataBase Reference: 3,3-BIS(N,N-DIPROPANOIC ACID)(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-BIS(N,N-DIPROPANOIC ACID)(505-47-5)
• EPA Substance Registry System: 3,3-BIS(N,N-DIPROPANOIC ACID)(505-47-5)

Safety Data

• Hazardous Substances Data: 505-47-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3,3-Bis(N,N-dipropanoic acid) is used as a component in the preparation of conjugates of cytotoxic agents with cell surface receptor binding molecules. This application is particularly beneficial in the treatment of cancer, autoimmune, and infectious diseases, as it allows for targeted delivery of therapeutic agents to specific cells, minimizing side effects and improving patient outcomes.

InChI:InChI=1/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)

Upstream product

• 141-76-4 3-iodopropanoic acid 
• 111-94-4 3,3'-Iminodipropionitrile 
• 79-10-7 acrylic acid 
• 107-95-9 3-amino propanoic acid 
• 64371-16-0 C₆H₁₁N₂O₃^(1-)*Na⁽¹⁺⁾ 
• 16690-93-0 sodium β-alaninate 
• 7647-01-0 hydrogenchloride 
• 875231-12-2 3,3'-formylimino-di-propionic acid diethyl ester 
• 89600-79-3 N-(2-cyanoethyl)-β-alanine 
• 16675-32-4 N,N-(2,2'-Dicarboxyethyl)-guanidin 
• 590-92-1 3-Bromopropionic acid 

Downstream Products

• 3339-73-9 3-phthalimidopropanoic acid 
• 3518-88-5 3,3'-imino-di-propionic acid diethyl ester 
• 99-69-4 3,3'-nitroimino-di-propionic acid 
• 107-95-9 3-amino propanoic acid 
• 79-10-7 acrylic acid 
• 143766-91-0 (G-1)-NH 
• 143766-90-9 (G-1)-NBOC 
• 143766-93-2 (G-2)-NH 
• 143766-92-1 (G-2)-NBOC 
• 41661-47-6 piperidin-4-one 
• 1059230-30-6 C₁₇H₂₃N₇O₇S 
• 182001-79-2 3-[Benzyloxycarbonyl-(2-pentafluorophenyloxycarbonyl-ethyl)-amino]-propionic acid pentafluorophenyl ester 
• 74-85-1 ethene 
• 31334-51-7 tris(N-2,7-octadienyl)amine 

Relevant articles and documents

Homogeneous catalysis, heterogeneous recycling: A new family of branched molecules with hydrocarbon or fluorocarbon chains for the Friedl?nder synthesis of quinoline under solvent-free conditions

A new family of branched catalysts with hydrocarbon or fluorocarbon chains was used to catalyze Friedl?nder reaction between 2-aminoarylketones and α-methylene ketones under solvent-free conditions in good to excellent yields. The catalysts exhibit temperature-dependent solubility and such a thermomorphic character allows them to be recovered by filtration conveniently at room temperature and reused at least five times. To some extent, the branched catalysts with hydrocarbon chains are superior to those with fluorocarbon chains, as they are cheaper and more biodegradable.

Syntheses of near infrared absorbed phthalocyanines to utilize photosensitizers

Phthalocyanines have become of major interest as functional colorants for various applications. In order to use various applications especially photosensitizers, the absorption maxima called Q-band of phthalocyanines are required to be shifted to the near infrared region. Substituted phthalocyanine analog alkylbenzopiridoporphyrazins, especially zinc bis(1,4-didecylbenzo)- bis(3,4-pyrido)porphyrazine, and toroidal-shaped phthalocyanines having aminoamine dendric side chains such as toroidal zinc poly(aminoamine) phthalocyanine dendrons were synthesized. Phthalocyanines of two types reportedly use photosensitizers for photodynamic therapy of cancer. The respective efficacies of photodynamic therapy of cancer for zinc bis(1,4-didecylbenzo)-bis(3,4-pyrido)porphyrazine and its regioisomers were estimated using laser-flash photolysis. The capability of using photodynamic therapy for toroidal zinc poly(aminoamine)phthalocyanine dendrons was assessed using a cancer cell culture. Both phthalocyanines were suitable for the use as a photosensitizer as photodynamic therapy of cancer. Then, non-peripheral thioaryl substituted phthalocyanines, 1,4,8,11,15,18,22,25-octakis(thioaryl) phthalocyanines, such as 1,4,8,11,15,18,22,25-octakis(thiophenylmethyl) phthalocyanines, 1,4,8,11,15,18,22,25-octakis(thiophenylmethoxy)phthalocyanines, and 1,4,8,11,15,18,22,25-octakis(thiophenyl tert-butyl)phthalocyanines were also synthesized in order to develop next- generation photovoltaic cells and/or dye-sensitized solar cells. Non-peripheral substituted 1,4,8,11,15,18,22,25- octakis(thioaryl)phthalocyanines exhibited a Q-band in the near infrared region. Electrochemical measurements were performed on the above-mentioned 1,4,8,11,15,18,22,25-octakis(thioaryl)phthalocyanines described above to examine their electron transfer abilities and electrochemical mechanisms. The compounds 1,4,8,11,15,18,22,25-octakis(thioaryl)phthalocyanines are anticipated to be appropriate materials for use in the next generation of photovoltaic cells.

PROCESS FOR THE SYNTHESIS OF NA- BETA-ALANINATE AND CALCIUM PANTOTHENATE

In a process for the preparation of Na-β-alaninate from β-amino-propionitrile ready for the condensation with pantolactone to pantothenate the improvement of obtaining Na-β-alaninate as a solution in an alcohol, which improvement comprises carrying out the hydrolysis of β-amino-propionitrile in water and then making a solvent exchange from water to an alcohol, thus achieving that the final β-alaninate mixture contains side- or by-products in amounts only, which do not negatively influence the-pantothenate quality.

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A Convergent Synthesis of Carbohydrate-Containing Dendimers

The synthesis of carbohydrate-containing dendrimers has been achieved by a convergent grwoth approach.The synthetic strategy involves: 1) the synthesis of the triglucosylated derivative of tris(hydroxymethyl)methylamine (TRIS), 2) the introduction of a glycine-derived spacer and 3,3'-iminodipropionic acid derived branching units on to the TRIS derivative by amide bond formation, 3) condensation of the above saccharide-containing dendrons with a trifunctional 1,3,5-benzenetricarbonyl derivative, used as the core, by formation of amide bonds, and 4) deprotection of the saccharide units.A 9-mer and an 18-mer, carrying nine and eighteen saccharide units at the periphery, respectively, have been synthesized, in high yields at each step, by this synthetic strategy.By a variety of chromatographic and spectroscopic techniques, the dendrimers were shown to be structurally homogeneous, monodisperse, and error-free at all steps in their growth.These investigations were complemented by molecular modeling studies on the dendrimers.The presence of slightly distorted C3 symmetry was noted in both the 9-mer and the 18-mer. - Keywords: carbohydrates; cluster glucosides; convergent syntheses; dendrimers; neoglycoconjugates

Synthesis of Dendritic Polyamides via a Convergent Growth Approach

The synthesis of dendritic polyamides by the convergent growth approach is described.The synthesis involves an A2B monomer, N-(tert-butoxycarbonyl)iminodipropionic acid, containing two free carboxylic acid groups and a protected amine.The polycondensation reaction is carried out using classical peptide chemistry with sequential coupling-deprotection steps to afford polyamides with molecular weights up to 5000.As their size increases, the dendritic polyamide find their growth restricted by steric problems.The final step of growth is the condensation of the dendrimers with a trifunctional acid chloride core to give the final globular polyamides.The macromolecules were characterized by a variety of chromatographic and spectroscopic techniques, and were found to have precisely defined structures.

Mass Spectra of Butyl Esters and N-Trifluoroacetyl Butyl Esters of Some Iminodicarboxylic Acids upon Electron Impact

Mass spectra (electron impact at 20 eV) of butyl esters and N-trifluoroacetyl (TFA) butyl esters of some iminodicarboxylic acids (IDCAs) were determined by gas chromatography-mass spectrometry.The IDCAs included iminodiacetic acid (1), 2-(carboxymethylamino)propionic acid (2), 3-(carboxymethylamino)propionic acid (3), 2,2'-iminodipropionic acid (4), 2,3'-iminodipropionic acid (5), 3,3'-iminodipropionic acid (6), N-methylaminodiacetic acid (7), and nitrilotriacetic acid (8).The mass spectra of the butyl ester derivatives are simple, exhibiting the corresponding molecular (M+) ions with the exception of 5.The α,α'-IDCAs (1, 2, 4, 7, and 8) are characterized by M+, M -101 (COOC4H9) (base peak), and M - 157 (COOC4H9 + C4H8) ions.The β,β'-IDCA (6) is characterized by a more complex spectrum with M+, M - 73 (OC4H9), M - 115 (CH2COOC4H9) (base peak), M - 129 (OC4H9 + C4H9), and M - 171 (CH2COOC4H9 + C4H9) ions.The α,β'-IDCAs (3 and 5) in general show spectra in which both ions characteristic of α,α'- and β,β'-IDCAs are observed.The addition of TFA to the imino nitrogens of 1 - 6 increases complexity of the resulting spectra.In these instances, although M+ ions are usually present, neither M - 101 nor 115 ions are base peaks.The fragmentation pathways of these two volatile derivatives of the IDCAs upon electron impact are discussed.