N-PHENYLIMINODIACETIC ACID

Base Information

• Chemical Name: N-PHENYLIMINODIACETIC ACID
• CAS No.: 1137-73-1
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 29252900
• European Community (EC) Number: 435-160-4,627-124-3
• NSC Number: 105534
• DSSTox Substance ID: DTXSID60150530
• Nikkaji Number: J928.582B
• Wikidata: Q83016656
• ChEMBL ID: CHEMBL1368282
• Mol file: 1137-73-1.mol

Synonyms:Aceticacid, (phenylimino)di- (6CI,7CI,8CI);(Phenylimino)diacetic acid;Anilinediacetic acid;Anilinodiacetic acid;N-(Carboxymethyl)anilinoaceticacid;N-Phenyliminodiacetic acid;NSC 105534;

Chemical Property of N-PHENYLIMINODIACETIC ACID

Chemical Property:

• Appearance/Colour: greyish to beige powder
• Vapor Pressure: 6.25E-09mmHg at 25°C
• Melting Point: 156 °C
• Boiling Point: 451.2 °C at 760 mmHg
• PKA: pK1:2.40;pK2:4.98 (20°C)
• Flash Point: 226.7 °C
• PSA: 77.84000
• Density: 1.397 g/cm³
• LogP: 0.66220
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-PhenyliminodiaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-PHENYLIMINODIACETIC ACID

There total 14 articles about N-PHENYLIMINODIACETIC 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: 93.0%

2,2'-(phenylimino)bis[ethanol] (120-07-0) → N,N-bis(carboxymethyl)aniline (1137-73-1)

Guidance literature:

With C₂₄H₃₃IrN₄O₃; water; sodium hydroxide; for 24h; Reflux;

DOI:10.1002/cssc.202001052

Reference yield: 63.0%

chloroacetic acid (79-11-8) + aniline (62-53-3) → N,N-bis(carboxymethyl)aniline (1137-73-1)

Guidance literature:

With potassium hydroxide; In water; at 70 ℃; for 4h;

DOI:10.1016/j.bmc.2014.09.047

Reference yield:

chloroacetic acid (79-11-8) + aniline (62-53-3) → N,N-bis(carboxymethyl)aniline (1137-73-1) + phenylglycin (2835-06-5)

Guidance literature:

upstream raw materials:

N-Phenylglycine

chloroacetic acid

aniline

sodium monochloroacetic acid

Downstream raw materials:

phenyliminodiacetic acid diethyl ester

N,N-dimethyl-aniline

N₂-{2-[1,3-dihydro-2H-isoindol-2-yl(methyl)amino]-2-oxoethyl}-N₂-phenyl-N₁-{2-[(tert-butoxycarbonyl)(ethyl)amino]ethyl}glycinamide

1-benzyl-4-phenyl-piperazine-2,6-dione

Refernces

• 1、 Fujita, Ken-ichi,Toyooka, Genki. "Synthesis of Dicarboxylic Acids from Aqueous Solutions of Diols with Hydrogen Evolution Catalyzed by an Iridium Complex". . . Retrieved 2020/07/13.
• 2、 Li, Xiangqian,Liang, Xiaomeng,Song, Ting,Su, Pengchen,Zhang, Zhichao. "Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2". . p. 5738 - 5746. Retrieved 2015/02/02.