(4-Nitrophenyl) 4-(bromomethyl)benzoate

Base Information

• Chemical Name: (4-Nitrophenyl) 4-(bromomethyl)benzoate
• CAS No.: 38597-13-6
• Molecular Formula: C14H10BrNO4
• Molecular Weight: 336.142
• NSC Number: 168193
• DSSTox Substance ID: DTXSID20304916
• Wikidata: Q82051259
• Mol file: 38597-13-6.mol

Synonyms:38597-13-6;NSC 168193;(4-nitrophenyl) 4-(bromomethyl)benzoate;NSC168193;DTXSID20304916;NSC-168193

Chemical Property of (4-Nitrophenyl) 4-(bromomethyl)benzoate

Chemical Property:

• Vapor Pressure: 2.93E-09mmHg at 25°C
• Boiling Point: 476.9°Cat760mmHg
• Flash Point: 242.2°C
• Density: 1.569g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 334.97932
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-Nitrophenyl) 4-(bromomethyl)benzoate

There total 3 articles about (4-Nitrophenyl) 4-(bromomethyl)benzoate 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:

4-nitrophenyl 4-methylbenzoate (15023-67-3) → 4-Bromomethyl-benzoic acid 4-nitro-phenyl ester (38597-13-6)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In various solvent(s); for 12h; Heating;

DOI:10.1016/S0040-4020(01)86744-2

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-Bromomethyl-benzoic acid 4-nitro-phenyl ester (38597-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / pyridine / diethyl ether / 2 h

2: N-bromosuccinimide, benzoylperoxide / various solvent(s) / 12 h / Heating

With pyridine; N-Bromosuccinimide; Perbenzoic acid; In diethyl ether;

DOI:10.1016/S0040-4020(01)86744-2

Reference yield:

4-methyl-benzoyl chloride (874-60-2) → 4-Bromomethyl-benzoic acid 4-nitro-phenyl ester (38597-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / pyridine / diethyl ether / 2 h

2: N-bromosuccinimide, benzoylperoxide / various solvent(s) / 12 h / Heating

With pyridine; N-Bromosuccinimide; Perbenzoic acid; In diethyl ether;

DOI:10.1016/S0040-4020(01)86744-2

upstream raw materials:

4-nitrophenyl 4-methylbenzoate

4-nitro-phenol

4-methyl-benzoyl chloride

Downstream raw materials:

1-<4-<(4-nitrophenoxy)carbonyl>benzyl>-3-(aminocarbonyl)pyridinium bromide

4-nitrophenyl 4-({allyl[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-propyl]-amino}-methyl)-benzoate

4-<(4-nitrophenoxy)carbonyl>benzyltrimethylammonium bromide

1-<4-<(4-nitrophenoxy)carbonyl>benzyl>-4-(aminocarbonyl)pyridinium bromide

Refernces

• 1、 Engbersen, J. F. J.,Geurtsen, G.,Bie, D. A. De,Plas, H. C. Van Der. "EFFECT OF NEIGHBORING PYRIDINIUM GROUPS ON THE BASIC HYDROLYSIS OF ARYLBENZOATE ESTERS". . p. 1795 - 1802. Retrieved 2007/10/02.