3-bromo-N-(2-hydroxyethyl)benzamide

Base Information

• Chemical Name: 3-bromo-N-(2-hydroxyethyl)benzamide
• CAS No.: 57728-66-2
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.09
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20395122
• Nikkaji Number: J3.382.758J
• Wikidata: Q82194969
• Mol file: 57728-66-2.mol

Synonyms:3-bromo-N-(2-hydroxyethyl)benzamide;57728-66-2;SCHEMBL1663227;DTXSID20395122;MFCD01249209;N-(2-Hydroxyethyl)-m-bromobenzamide;AKOS008929988;BS-28975;CS-0211357;FT-0743485

Chemical Property of 3-bromo-N-(2-hydroxyethyl)benzamide

Chemical Property:

• Vapor Pressure: 2.65E-07mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 405.5°Cat760mmHg
• Flash Point: 199°C
• PSA: 49.33000
• Density: 1.525g/cm³
• LogP: 1.56210
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-N-(2-hydroxyethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)NCCO

Technology Process of 3-bromo-N-(2-hydroxyethyl)benzamide

There total 5 articles about 3-bromo-N-(2-hydroxyethyl)benzamide 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%

ethanolamine (141-43-5) → 3-bromo-N-(2-hydroxyethyl)benzamide (57728-66-2)

Guidance literature:

With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; In acetonitrile; at 20 ℃; for 15h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501929c

Reference yield:

m-bromobenzoic acid (585-76-2) → 3-bromo-N-(2-hydroxyethyl)benzamide (57728-66-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 23 h / 50 °C / Inert atmosphere

2: dichloromethane / 15 h / 0 - 20 °C / Inert atmosphere

With thionyl chloride; In dichloromethane;

DOI:10.1039/c5ob00452g

Reference yield:

3-bromobenzoyl chloride (1711-09-7) + ethanolamine (141-43-5) → 3-bromo-N-(2-hydroxyethyl)benzamide (57728-66-2)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 15h; Inert atmosphere;

DOI:10.1039/c5ob00452g

upstream raw materials:

ethyl 3-bromobenzoate

ethanolamine

methyl 3-bromobenzoate

m-bromobenzoic acid

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