Benzamide-15N

Base Information

• Chemical Name: Benzamide-15N
• CAS No.: 31656-62-9
• Molecular Formula: C7H7NO
• Molecular Weight: 122.132
• European Community (EC) Number: 689-484-8
• DSSTox Substance ID: DTXSID40479998
• Nikkaji Number: J1.713.301B
• Wikidata: Q82314449
• Mol file: 31656-62-9.mol

Synonyms:Benzamide-15N;31656-62-9;(15N)Benzamide;starbld0016541;SCHEMBL1332331;HY-Z0283S;DTXSID40479998;Benzamide-15N, 98 atom % 15N;AKOS015889516;MS-22759;CS-0214314;J-018506

Chemical Property of Benzamide-15N

Chemical Property:

• Melting Point: 125-128 °C(lit.)
• Refractive Index: 1.564
• Flash Point: 87 °C
• PSA: 43.09000
• Density: 1.12 g/cm³
• LogP: 1.48580
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.049798741
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Benzamide-15N ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)[15NH2]
• Uses: Benzamide-15N is labelled Benzamide which is a useful synthetic intermediate. Benzamide is a specific inhibitor of poly(ADP-ribose)polymerase. It prevents glutamate- and methamphetamine-induced neurotoxicity in vitro in C57B1/6N mouse.

Technology Process of Benzamide-15N

There total 5 articles about Benzamide-15N 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: 97.0%

benzoyl chloride (98-88-4) → 15N-benzamide (31656-62-9)

Guidance literature:

With ammonium-¹⁵N hydrochloride; potassium hydroxide; In water; acetonitrile;

DOI:10.1021/jo100808w

Reference yield: 75.0%

benzoyl chloride (98-88-4) → 15N-benzamide (31656-62-9) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With sodium hydroxide; ammonium-¹⁵N hydrochloride; In diethyl ether; at 0 ℃;

DOI:10.1021/ja030582v

Reference yield: 61.0%

benzaldehyde (100-52-7) → 15N-benzamide (31656-62-9)

Guidance literature:

With copper(I) oxide; ammonium-¹⁵N hydrochloride; potassium carbonate; In water; acetonitrile; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jo301252c DOI:10.1021/jo301252c

upstream raw materials:

benzoyl chloride

benzaldehyde

Downstream raw materials:

C₂₅H₂₀⁽¹⁵⁾NOP

thiobenzamide-15N

1-benzoylpiperidine-¹⁵N

1-benzylpiperidine-¹⁵N

Refernces

• 1、 Belov, Vladimir,K?fferlein, Heiko U.. "Total synthesis of 13C2,15N-imidacloprid with three stable isotopes in the pyridine ring". . p. 126 - 131. Retrieved 2019.
• 2、 Berger, Gilles,Gelbcke, Michel,Cau?t, Emilie,Luhmer, Michel,Nève, Jean,Dufrasne, Fran?ois. "Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: Tools for the NMR study of platinum-based anticancer compounds". supporting information. p. 545 - 548. Retrieved 2013/02/23.