3-N-Phthaloylglyaminomethyl aniline

Base Information

• Chemical Name: 3-N-Phthaloylglyaminomethyl aniline
• CAS No.: 77147-14-9
• Molecular Formula: C15H12 N2 O2
• Molecular Weight: 252.272
• Hs Code.: 2925190090
• European Community (EC) Number: 672-329-3
• DSSTox Substance ID: DTXSID40375148
• Wikidata: Q82163682
• ChEMBL ID: CHEMBL2237489
• Mol file: 77147-14-9.mol

Synonyms:77147-14-9;3-N-Phthaloylglyaminomethyl aniline;2-(3-Aminobenzyl)isoindoline-1,3-dione;2-[(3-aminophenyl)methyl]isoindole-1,3-dione;2-[(3-AMINOPHENYL)METHYL]-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE;SCHEMBL2025369;CHEMBL2237489;DTXSID40375148;CDA14714;MFCD03426398;AKOS000157897;AC-6640;SB64270;AS-37445;CS-0171436;EN300-174853;A838972;2-[(3-aminophenyl)methyl]isoindoline-1,3-dione;3-N-PHTHALOYLGLYAMINOMETHYL ANILINE

Chemical Property of 3-N-Phthaloylglyaminomethyl aniline

Chemical Property:

• Vapor Pressure: 1.02E-08mmHg at 25°C
• Refractive Index: 1.703
• Boiling Point: 462°C at 760 mmHg
• Flash Point: 233.2°C
• PSA: 63.40000
• Density: 1.377g/cm³
• LogP: 2.58410
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.089877630
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Aminobenzyl)isoindoline-1,3-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=CC=C3)N

Technology Process of 3-N-Phthaloylglyaminomethyl aniline

There total 7 articles about 3-N-Phthaloylglyaminomethyl aniline 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: 62.0%

2-(3-nitrobenzyl)isoindoline-1,3-dione (21081-63-0) → 2-(3-aminobenzyl)isoindoline-1,3-dione (77147-14-9)

Guidance literature:

2-(3-nitrobenzyl)isoindoline-1,3-dione; With tin(II) chloride dihdyrate; In ethanol; for 6h; Reflux;

With water; sodium hydroxide; In ethyl acetate; for 0.5h; Cooling with ice;

Reference yield: 47.0%

→ 2-(3-aminobenzyl)isoindoline-1,3-dione (77147-14-9)

Guidance literature:

With iron; acetic acid; at 60 ℃; Inert atmosphere;

Reference yield:

3-Nitrobenzyl chloride (619-23-8) → 2-(3-aminobenzyl)isoindoline-1,3-dione (77147-14-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N-dimethyl-formamide / 20 °C

2.1: tin(II) chloride dihdyrate / ethanol / 6 h / Reflux

2.2: 0.5 h / Cooling with ice

With tin(II) chloride dihdyrate; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

2-(3-nitrobenzyl)isoindoline-1,3-dione

2-(hydroxymethyl)-1H-isoindole-1,3(2H)-dione

aniline

3-Nitrobenzyl chloride

Downstream raw materials:

m-aminobenzylamine

2-{3-[6-(2-Methoxy-phenyl)-pyrimidin-4-ylamino]-benzyl}-isoindole-1,3-dione

(3-Aminomethyl-phenyl)-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-amine hydrochloride

2,6-Dichloro-N-{3-[6-(2-methoxy-phenyl)-pyrimidin-4-ylamino]-benzyl}-benzenesulfonamide

Refernces

• 1、 -. "COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME". Page/Page column 323; 234. . Retrieved 2017/04/11.
• 2、 -. "4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY". Page/Page column 19. . Retrieved 2012/10/18.