N-(pyrrol-2-ylidenemethyl)aniline

Base Information

• Chemical Name: N-(pyrrol-2-ylidenemethyl)aniline
• CAS No.: 4089-09-2
• Molecular Formula: C11H10N2
• Molecular Weight: 170.214
• NSC Number: 94981
• DSSTox Substance ID: DTXSID80418902
• Nikkaji Number: J1.384.411I
• ChEMBL ID: CHEMBL1883828
• Mol file: 4089-09-2.mol

Synonyms:MLS002695274;4089-09-2;N-(pyrrol-2-ylidenemethyl)aniline;NSC94981;NCIOpen2_001556;CHEMBL1883828;SCHEMBL14337329;DTXSID80418902;HMS3092E11;NSC-94981;SMR001561181

Chemical Property of N-(pyrrol-2-ylidenemethyl)aniline

Chemical Property:

• Vapor Pressure: 0.00194mmHg at 25°C
• Boiling Point: 291.5°Cat760mmHg
• Flash Point: 130.1°C
• Density: 1.05g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=CC2=CC=CN2

Technology Process of N-(pyrrol-2-ylidenemethyl)aniline

There total 6 articles about N-(pyrrol-2-ylidenemethyl)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: 94.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + aniline (62-53-3) → (E)-2-1H-pyrrolecarbaldphenylimine (4089-09-2)

Guidance literature:

In water; at 20 ℃; for 72h;

DOI:10.1002/adsc.200404181

Reference yield: 90.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + aniline (62-53-3) → N-pyrrol-2-ylmethylene-aniline (4089-09-2)

Guidance literature:

With formic acid; In methanol;

DOI:10.1039/b909495d

Reference yield: 47.0%

1,3,3-triphenyl-4-(pyrrol-2-yl)azetidin-2-one (105090-44-6) → N-pyrrol-2-ylmethylene-aniline (4089-09-2) + 2,2-diphenylacetic acid (117-34-0) + 1,1-diphenyl-2-(pyrrol-2-yl)ethylene (118235-40-8) + aniline (62-53-3)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In ethanol; for 4h; Product distribution; Heating;

upstream raw materials:

2-pyrrole aldehyde

aniline

1,3,3-triphenyl-4-(pyrrol-2-yl)azetidin-2-one

N-methylpyrrole aldehyde

Downstream raw materials:

2-pyrrole aldehyde

aniline

(1-diphenylphosphanyl-1H-pyrrol-2-ylmethylene)phenylamine

Co(NC₄H₃CHNC₆H₅)2(C₅H₃N)2(CH)2

Refernces

• 1、 Chen, Guan-Hao,Leu, Wohn-Jenn,Guh, Jih-Hwa,Lin, Chia-Her,Huang, Jui-Hsien. "Synthesis, characterization and cancer cell growth inhibition activity of ruthenium(II) complexes bearing bidentate pyrrole-imine ligands". . p. 122 - 130. Retrieved 2018/05/28.
• 2、 Zhang, Xu,Liu, Wenmin,Sun, Ruixue,Xu, Xuefeng,Wang, Zhiqiang,Yan, Yanlei. "Silver-catalyzed three-component approach to quinolines starting from anilines, aldehydes, and alcohols". . p. 1563 - 1568. Retrieved 2016/06/14.