N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide

Base Information

• Chemical Name: N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide
• CAS No.: 214554-43-5
• Molecular Formula: C17H17N3O
• Molecular Weight: 279.33600
• DSSTox Substance ID: DTXSID60443196
• Nikkaji Number: J990.938I
• Wikidata: Q82260912
• Mol file: 214554-43-5.mol

Synonyms:214554-43-5;N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide;N-Acetyl 4-(dipyrrol-2-yl)methylaniline;N-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]acetamide;5-(4-ACETAMIDOPHENYL)DIPYRROMETHANE;N-{4-[Di(1H-pyrrol-2-yl)methyl]phenyl}acetamide;DTXSID60443196;WLZCFUJEUPUUEL-UHFFFAOYSA-N;5-(4-acetamidophenyl) dipyrromethane;5-(4-Acetylamidophenyl)dipyrromethane;AKOS025394530;SB62804;CS-0449570;N-[4-(Di-2-pyrrolylmethyl)phenyl]acetamide;N-[4-[Bis(2-pyrrolyl)methyl]phenyl]acetamide;J-014080

Chemical Property of N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide

Chemical Property:

• PSA: 60.68000
• LogP: 3.55440
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 279.137162174
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

98% ^*data from raw suppliers

5-(4-ACETAMIDOPHENYL)DIPYRROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

Technology Process of N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide

There total 2 articles about N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide 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: 80.0%

pyrrole (109-97-7,30604-81-0) + para-acetamidobenzaldehyde (122-85-0) → 5-(4-acetamidophenyl)dipyrromethane (214554-43-5)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.583333h; Inert atmosphere;

DOI:10.1142/S1088424619500433

Reference yield: 50.0%

→ 5-(4-acetamidophenyl)dipyrromethane (214554-43-5)

Guidance literature:

Reference yield: 68.0%

boron trifluoride diethyl etherate (109-63-7) + 5-(4-acetamidophenyl)dipyrromethane (214554-43-5) → C17H14BF2N3O

Guidance literature:

5-(4-acetamidophenyl)dipyrromethane; With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 1h;

With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1142/S1088424619500433

upstream raw materials:

pyrrole

para-acetamidobenzaldehyde

Downstream raw materials:

C₆₀H₆₇N₅O₅Zn

Refernces

• 1、 -. "Compositions and methods for treating cancer". Page/Page column 18-19. . Retrieved 2008/06/13.
• 2、 Rao, Polisetti Dharma,Dhanalekshmi, Savithri,Littler, Benjamin J.,Lindsey, Jonathan S.. "Rational Syntheses of Porphyrins Bearing up to Four Different Meso Substituents". . p. 7323 - 7344. Retrieved 2007/10/03.