3987-53-9

Basic information

• Product Name: N-BENZYLIMINODIACETIC ACID
• Synonyms: 2-[carboxymethyl(phenylmethyl)amino]ethanoic acid;NSC 1003;N-Benzyliminodiacetic Acid;2,2'-(Benzylazanediyl);Benzyliminodiaceticacid;LABOTEST-BB LT00452559;N-BENZYLIMINODIACETIC ACID;N-benzylaminodiacetic acid
• CAS NO: 3987-53-9
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• EINECS: 223-631-5
• Product Categories: Building Blocks;C11 to C12;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Aliphatics;Carboxylic Acids;Carboxylic Acids;C11 to C12;Carbonyl Compounds
• Mol File: 3987-53-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 200-202 °C (dec.)(lit.)
• Boiling Point: 420.9 °C at 760 mmHg
• Flash Point: 208.3 °C
• Appearance: /
• Density: 1.326 g/cm³
• Vapor Pressure: 7.78E-08mmHg at 25°C
• Refractive Index: 1.586
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.77±0.10(Predicted)
• Water Solubility: very faint turbidity in hot Water
• CAS DataBase Reference: N-BENZYLIMINODIACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: N-BENZYLIMINODIACETIC ACID(3987-53-9)
• EPA Substance Registry System: N-BENZYLIMINODIACETIC ACID(3987-53-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 3987-53-9(Hazardous Substances Data)

Usage

General Description

N-Benzyliminodiacetic acid is a chemical compound with the molecular formula C12H13NO4. It is a derivative of iminodiacetic acid and is commonly used as a chelating agent in various chemical and biological applications. N-Benzyliminodiacetic acid is a white crystalline powder that is soluble in water and is stable under normal conditions. It is often utilized for its ability to form strong coordination complexes with metal ions, which makes it useful in various industrial processes such as metal extraction and purification. Additionally, N-Benzyliminodiacetic acid is used in the production of pharmaceuticals and as a reagent in organic synthesis.

InChI:InChI=1/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)

Upstream product

• 100-46-9 benzylamine 
• 100-39-0 benzyl bromide 
• 6175-26-4 dimethyl 2,2′-(benzylazanediyl)diacetate 
• 142-73-4 iminodiacetic acid 
• 100-44-7 benzyl chloride 
• 79-08-3 bromoacetic acid 
• 3926-62-3 sodium monochloroacetic acid 
• 50-00-0 formaldehyd 
• 143-33-9 sodium cyanide 
• 79-11-8 chloroacetic acid 
• 16728-92-0 N-benzyl-N,N-bis(cyanomethyl)amine 
• 3287-99-8 benzylamine hydrochloride 

Downstream Products

• 142-73-4 iminodiacetic acid 
• 227473-44-1 N-[4-(4-benzyl-2,6-dioxopiperazin-1-yl)-butyl]-carbamic acid tert-butyl ester 
• 926028-85-5 4-benzyl-1-(7-fluoro-1H-indol-5-yl)piperazine-2,6-dione 
• 1333227-64-7 (benzyl-{[(S)-2-(1H-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-amino)-acetic acid. 
• 1333226-73-5 (S)-2-[2-(benzyl-carboxymethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester 
• 1333226-97-3 C₃₇H₃₆N₄O₅ 
• 148528-45-4 dimethyl-1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate 
• 6175-26-4 dimethyl 2,2′-(benzylazanediyl)diacetate 

Relevant articles and documents

Substance related with tophatib and preparation method and application thereof

The invention discloses a substance related with tophatib and a preparation method and application thereof. The substance is named as N,N'-diacetyl{(3R,4R)-4-methyl-3-[methyl(7H-pyrrole[2,3-D]pyrimidine-4-yl)amine]piperidine-1-yl}imine. The impurity is characterized in that the generation level is lower in the condensation reaction process; however, the impurity has the uniform main functional groups with the tophatib, the cleaning effect is limited in the subsequent salting and refining process, and the influence to the qualities of crude drug and finished product of tophatib is larger; by detecting the existence of the impurity, the qualities of the raw material and preparation of the tophatib can be effectively determined.

Nickel(II) complexes with N-aralkyliminodiacetic acids: Preparation, spectroscopic, structural and thermal characterization

The reactions of N-aralkyl derivatives of iminodiacetic acid (H 2Bnida, H2Peida, H2Ppida, o-H2Cbida, Bn = benzyl, Pe = 2-phenylethyl, Pp = 3-phenylprop-1-yl, o-Cb = o-chlorobenzyl) with nickel(II) chloride hexahydrate or nickel(II) acetate tetrahydrate in aqueous solutions were studied. Five new nickel(II) complexes [Ni(Bnida)(H 2O)3]·H2O (1), [Ni(Peida)(H 2O)3] (2), [Ni(Ppida)(H2O)3] ·H2O (3a), [Ni(Ppida)(H2O)3] (3b) and [Ni(o-Cbida)(H2O)3] (4) were prepared and characterized by infrared spectroscopy and thermal analysis (TGA-DTA). The crystal structures of 1 and 3b were determined by single-crystal X-ray structural analysis. The octahedral coordination environment around the nickel(II) ion in 1 and 3b consists of an O,N,O′-tridentate N-aralkyliminodiacetate ion and three water molecules arranged in a fac-position. The molecules in the crystal structures of 1 and 3b are connected into a complicated hydrogen-bonded 2D network, dominated by the O-H?O hydrogen bonds. These 2D networks are in turn assembled into a 3D architecture only by weak van der Waals interactions.

RAPID DEBENZYLATION OF N-BENZYLAMINO DERIVATIVES TO AMINO-DERIVATIVES USING AMMONIUM FORMATE AS CATALYTIC HYDROGEN TRANSFER AGENT

Various N-benzyl derivatives of amino acids and amines were deprotected to the corresponding free amino acids and amines using ammonium formate as the hydrogen source.