N-Benzyliminodiacetic acid

Base Information

• Chemical Name: N-Benzyliminodiacetic acid
• CAS No.: 3987-53-9
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• Hs Code.: 2922499990
• European Community (EC) Number: 223-631-5
• NSC Number: 1003
• DSSTox Substance ID: DTXSID60192915
• Nikkaji Number: J8.286D
• Wikidata: Q83065592
• Mol file: 3987-53-9.mol

Synonyms:N-Benzyliminodiacetic acid;3987-53-9;2,2'-(benzylazanediyl)diacetic acid;2-[benzyl(carboxymethyl)amino]acetic acid;N-BENZYLIMINODIACETICACID;N-Benzylaminodiacetic acid;2,2'-(benzylimino)diacetic acid;EINECS 223-631-5;Glycine, N-(carboxymethyl)-N-(phenylmethyl)-;BADA[Dotite];benzyliminodiacetic acid;SCHEMBL212272;(BENZYLIMINO)DIACETIC ACID;DTXSID60192915;N-Benzyliminodiacetic acid, 98%;NSC1003;ADAL1038093;AMY25150;BCP27374;NSC 1003;NSC-1003;MFCD00004285;STK226929;AKOS003001181;SB79922;AS-62247;B1363;CS-0156321;FT-0651534;D82010;EN300-130954;Z1008197822;(Benzylimino)bisacetic acid;2,2'-(Benzylimino)diacetic acid;N-Benzyl-N-(carboxymethyl)glycine;N-Carboxymethyl-N-Phenylmethylglycine

Chemical Property of N-Benzyliminodiacetic acid

Chemical Property:

• Vapor Pressure: 7.78E-08mmHg at 25°C
• Melting Point: 200-202 °C (dec.)(lit.)
• Refractive Index: 1.586
• Boiling Point: 420.9 °C at 760 mmHg
• PKA: 1.77±0.10(Predicted)
• Flash Point: 208.3 °C
• PSA: 77.84000
• Density: 1.326 g/cm³
• LogP: 0.65780
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: very faint turbidity in hot Water
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

98% ^*data from raw suppliers

N-Benzyliminodiacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O

Technology Process of N-Benzyliminodiacetic acid

There total 13 articles about N-Benzyliminodiacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

benzylamine (100-46-9) → N-benzyliminodiacetic acid (3987-53-9)

Guidance literature:

benzylamine; With sodium hydroxide; In water; at 5 ℃;

benzylamine; With sodium hydroxide; In water; Reflux;

With hydrogenchloride; In water; pH=2;

DOI:10.1016/j.ica.2013.02.017

Reference yield: 78.0%

bromoacetic acid (79-08-3) + benzylamine (100-46-9) → N-benzyliminodiacetic acid (3987-53-9)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 64.0%

iminodiacetic acid (142-73-4) → N-benzyliminodiacetic acid (3987-53-9)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 0.166667h; Heating;

DOI:10.1016/S0040-4039(00)95769-1

upstream raw materials:

formaldehyd

sodium cyanide

benzylamine hydrochloride

N-benzyl-N,N-bis(cyanomethyl)amine

Downstream raw materials:

iminodiacetic acid

1-(2-phenylthioethyl)-4-benzyl-2,6-piperazinedione

1-(3-phenylpropyl)-4-benzyl-piperazine-2,6-dione

formaldehyd

Refernces

• 1、 Charton, Julie,Gauriot, Marion,Guo, Qing,Hennuyer, Nathalie,Marechal, Xavier,Dumont, Julie,Hamdane, Malika,Pottiez, Virginie,Landry, Valerie,Sperandio, Olivier,Flipo, Marion,Buee, Luc,Staels, Bart,Leroux, Florence,Tang, Wei-Jen,Deprez, Benoit,Deprez-Poulain, Rebecca. "Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis". . p. 184 - 193. Retrieved 2014/05/06.
• 2、 Wiegerinck, Peter,Post, Olaf,Hofstede, Leontine,Heuvel, Marcel van den. "Synthesis of [3H]-, [14C]- and [13C,2H]-labelled Org 12962 Derivatives". . p. 1169 - 1171. Retrieved 2007/10/03.