2-Bromoethyl 4-nitrobenzoate

Base Information

• Chemical Name: 2-Bromoethyl 4-nitrobenzoate
• CAS No.: 23574-40-5
• Molecular Formula: C9H8BrNO4
• Molecular Weight: 274.071
• NSC Number: 131998
• DSSTox Substance ID: DTXSID80946376
• Nikkaji Number: J2.151.600G
• Wikidata: Q82923963

Synonyms:23574-40-5;2-bromoethyl 4-nitrobenzoate;NSC131998;SCHEMBL7221510;DTXSID80946376;BBSUABROLDVKMB-UHFFFAOYSA-N;NSC-131998;4-nitrobenzoic acid 2-bromo-ethyl ester

Chemical Property of 2-Bromoethyl 4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.5E-06mmHg at 25°C
• Boiling Point: 386.6°Cat760mmHg
• Flash Point: 187.6°C
• Density: 1.623g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.96367
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OCCBr)[N+](=O)[O-]

Technology Process of 2-Bromoethyl 4-nitrobenzoate

There total 5 articles about 2-Bromoethyl 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: 78.0%

4-nitrobenzaldehdye (555-16-8) + ethylene glycol (107-21-1) → 2-bromoethyl 4-nitrobenzoate (23574-40-5)

Guidance literature:

With pyridinium hydrobromide perbromide; orthoformic acid triethyl ester; In 1,2-dichloro-ethane; at 80 ℃; for 3h;

DOI:10.1016/j.tetlet.2005.01.159

Reference yield:

4-nitro-benzoyl chloride (122-04-3) + 2-bromoethanol (540-51-2) → 2-bromoethyl 4-nitrobenzoate (23574-40-5)

Guidance literature:

at 140 ℃;

Reference yield:

ethylene dibromide (106-93-4) → 2-bromoethyl 4-nitrobenzoate (23574-40-5)

Guidance literature:

With diethylamine; at 95 - 98 ℃;

upstream raw materials:

4-nitro-benzoyl chloride

2-bromoethanol

2-(4-nitrophenyl)-1,3-dioxolane

ethylene dibromide

Downstream raw materials:

4-nitro-benzoic acid-(2-pyrrolidino-ethyl ester)

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