Benzyl 4-nitrobenzoate

Base Information

• Chemical Name: Benzyl 4-nitrobenzoate
• CAS No.: 14786-27-7
• Molecular Formula: C14H11 N O4
• Molecular Weight: 257.246
• European Community (EC) Number: 238-854-3
• NSC Number: 406869
• DSSTox Substance ID: DTXSID40163820
• Nikkaji Number: J146.485J
• Wikidata: Q83032804
• Mol file: 14786-27-7.mol

Synonyms:Benzyl 4-nitrobenzoate;14786-27-7;Benzyl p-nitrobenzoate;Benzoic acid, 4-nitro-, phenylmethyl ester;Benzoic acid, p-nitro-, benzyl ester;EINECS 238-854-3;AI3-08669;benzyl 4-nitro-benzoate;4-Nitro-benzoes?e-benzylester;SCHEMBL523154;DTXSID40163820;4-Nitrobenzoic acid, benzyl ester;Benzoic acid, 4-nitro, benzyl ester;NSC406869;AKOS003442168;NSC 406869;NSC-406869;SR-01000198555;SR-01000198555-1

Chemical Property of Benzyl 4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 2.99E-07mmHg at 25°C
• Boiling Point: 419.7°Cat760mmHg
• Flash Point: 188.1°C
• Density: 1.287g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzyl 4-nitrobenzoate

There total 50 articles about Benzyl 4-nitrobenzoate 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: 99.0%

benzyl bromide (100-39-0) + 4-nitrobenzaldehdye (555-16-8) → benzyl 4-nitrobenzoate (14786-27-7)

Guidance literature:

4-nitrobenzaldehdye; With 18-crown-6 ether; oxygen; 3,4-dimethylthiazolinium iodide; potassium carbonate; In acetonitrile; at 20 ℃; for 0.5h;

benzyl bromide; In acetonitrile; at 20 ℃;

DOI:10.1016/j.tet.2012.02.079

Reference yield: 99.0%

benzyl chloride (100-44-7) + 4-nitro-benzoic acid (62-23-7) → benzyl 4-nitrobenzoate (14786-27-7)

Guidance literature:

With triethylamine; for 1h; Heating; Inert atmosphere; Ionic liquid;

DOI:10.3906/kim-0904-39

Reference yield: 99.0%

4-nitrobenzoic acid methyl ester (619-50-1) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 4-nitrobenzoate (14786-27-7)

Guidance literature:

With lanthanum(III) nitrate hexahydrate; TOP; at 110 ℃; for 5h; Reagent/catalyst; Molecular sieve;

upstream raw materials:

N,N'-dimethylbenzylamine

4-nitrobenzoic acid methyl ester

4-nitro-benzoyl chloride

benzyl alcohol

Downstream raw materials:

4-nitrobenzoic acid methyl ester

benzyl 4-aminobenzoate

NSC 678634

benzyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamido)benzoate

Refernces

• 1、 Wong. "". . p. 282. Retrieved 1978.
• 2、 Chu, Xue-Qiang,Ge, Danhua,Luo, Xin-Long,Xu, Pei,Yu, Zi-Lun. "Vitamin B1-catalyzed aerobic oxidative esterification of aromatic aldehydes with alcohols". supporting information. p. 30937 - 30942. Retrieved 2021/11/19.
• 3、 Hosseini-Sarvari, Mona,Akrami, Zahra. "Solar and visible-light active nano Ni/g-C3N4photocatalyst for carbon monoxide (CO) and ligand-free carbonylation reactions". . p. 956 - 969. Retrieved 2021/02/26.