N-3-Phenanthrenylacetamide

Base Information

• Chemical Name: N-3-Phenanthrenylacetamide
• CAS No.: 4120-78-9
• Molecular Formula: C16H13NO
• Molecular Weight: 235.30
• Hs Code.: 2924299090
• NSC Number: 141584
• UNII: J8S9UC5ZUW
• DSSTox Substance ID: DTXSID30194123
• Nikkaji Number: J33.434K
• Wikidata: Q83066877
• Mol file: 4120-78-9.mol

Synonyms:N-3-Phenanthrylacetamide;3-Acetylaminophenanthrene;N-3-Phenanthrenylacetamide;3-Acetamidophenanthrene;3-Acetaminophenanthrene;Acetamide, N-3-phenanthrenyl-;ACETAMIDE, N-3-PHENANTHRYL-;4120-78-9;N-(3-Phenanthryl)acetamide;J8S9UC5ZUW;NSC 141584;BRN 2806961;NSC-141584;4-12-00-03442 (Beilstein Handbook Reference);NSC141584;UNII-J8S9UC5ZUW;2-acetylaminophenan-threne;N-(Phenanthren-3-yl)acetamide;SCHEMBL3952992;WLN: L B666J DMV1;DTXSID30194123;FSGXZFQZAIBEDS-UHFFFAOYSA-N;AKOS024340419;Acetamide, N-3-phenanthrenyl- (9CI)

Chemical Property of N-3-Phenanthrenylacetamide

Chemical Property:

• Vapor Pressure: 2.12E-10mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 506.9°C at 760 mmHg
• Flash Point: 302.8°C
• PSA: 29.10000
• Density: 1.233g/cm³
• LogP: 4.02440
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 235.099714038
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=CC3=CC=CC=C32)C=C1

Technology Process of N-3-Phenanthrenylacetamide

There total 9 articles about N-3-Phenanthrenylacetamide 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: 90.0%

1-(phenanthren-3-yl)ethanone oxime (5968-50-3) → N-(phenanthren-3-yl)acetamide (4120-78-9)

Guidance literature:

1-(phenanthren-3-yl)ethanone oxime; With triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h; Sealed tube;

With potassium hydrogen difluoride; In water; at 20 ℃; for 2h; Sealed tube;

DOI:10.1002/chem.201905358

Reference yield:

→ N-(phenanthren-3-yl)acetamide (4120-78-9)

Guidance literature:

With hydrogenchloride; acetic anhydride; acetic acid;

DOI:10.1021/jo01221a005

Reference yield:

(E)-3-Acetylphenanthrene oxime → N-(phenanthren-3-yl)acetamide (4120-78-9)

Guidance literature:

With PPA; at 100 - 102 ℃; for 1h;

upstream raw materials:

3-Phenanthrol

sodium acetate

3-aminophenanthrene

acetic anhydride

Downstream raw materials:

3-Fluorophenanthrene

3-aminophenanthrene

Refernces

• 1、 -. "Substituted tetraarylbenzenes". Page/Page column 135-136. . Retrieved 2014/12/12.
• 2、 Cote, Bernard,Boulet, Louise,Brideau, Christine,Claveau, David,Ethier, Diane,Frenette, Richard,Gagnon, Marc,Giroux, Andre,Guay, Jocelyne,Guiral, Sebastien,Mancini, Joseph,Martins, Evelyn,Masse, Frederic,Methot, Nathalie,Riendeau, Denis,Rubin, Joel,Xu, Daigen,Yu, Hongping,Ducharme, Yves,Friesen, Richard W.. "Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors". . p. 6816 - 6820. Retrieved 2008/04/03.