4-Nitrophenyl 4-bromobenzoate

Base Information

• Chemical Name: 4-Nitrophenyl 4-bromobenzoate
• CAS No.: 35666-13-8
• Molecular Formula: C13H8BrNO4
• Molecular Weight: 322.115
• DSSTox Substance ID: DTXSID901306959
• Nikkaji Number: J2.985.236G
• Mol file: 35666-13-8.mol

Synonyms:4-nitrophenyl 4-bromobenzoate;SCHEMBL17891610;DTXSID901306959;4-Bromobenzoic acid 4-nitrophenyl ester;35666-13-8

Chemical Property of 4-Nitrophenyl 4-bromobenzoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 320.96367
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br

Technology Process of 4-Nitrophenyl 4-bromobenzoate

There total 6 articles about 4-Nitrophenyl 4-bromobenzoate 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: 81.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-bromo-benzaldehyde (1122-91-4) → p-bromobenzoic acid p-nitrophenyl ester (35666-13-8)

Guidance literature:

With sodium cyanide; copper(l) iodide; sodium hydroxide; In neat (no solvent); at 120 ℃; for 48h;

DOI:10.1002/aoc.3766

Reference yield: 67.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-Bromobenzoic acid (586-76-5) → p-bromobenzoic acid p-nitrophenyl ester (35666-13-8)

Guidance literature:

With thionyl chloride; for 13.3h; Heating;

DOI:10.1134/S1070428006060091

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + C14H19BrN2O2 → p-bromobenzoic acid p-nitrophenyl ester (35666-13-8)

Guidance literature:

In water; at 20 ℃; for 5h; Green chemistry;

DOI:10.1016/j.tet.2018.06.064

upstream raw materials:

4-nitro-phenol

4-Bromobenzoic acid

4-chlorobenzoyl chloride

4-bromo-benzaldehyde

Downstream raw materials:

4-chlorophenyl 4-bromobenzoate

4-Brom-thiobenzoesaeure-S-phenylester

1-bromo-4-styrylbenzene

1-(4-bromophenyl)-2-(2-dimethyl(oxo)-λ⁶-sulfanylidene)ethan-1-one

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