N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide

Base Information

• Chemical Name: N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide
• CAS No.: 223787-57-3
• Molecular Formula: C₁₆H₁₆BrNO₂
• Molecular Weight: 334.213
• DSSTox Substance ID: DTXSID40442586
• Wikidata: Q82259944
• Mol file: 223787-57-3.mol

Synonyms:N-[2-[2-(2-BROMOPHENYL)ETHYL]-5-METHOXYPHENYL]FORMAMIDE;223787-57-3;DTXSID40442586;FUOLAALAGXVPQE-UHFFFAOYSA-N;FT-0663839

Chemical Property of N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide

Chemical Property:

• Boiling Point: 483.0±45.0 °C(Predicted)
• PKA: 14.48±0.70(Predicted)
• Density: 1.393±0.06 g/cm3(Predicted)
• Solubility.: Dichloromethane
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 333.03644
• Heavy Atom Count: 20
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CCC2=CC=CC=C2Br)NC=O
• Uses: Intermediate in the production of substituted azepine derivatives

Technology Process of N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide

There total 5 articles about N-[2-[2-(2-Bromophenyl)ethyl]-5-methoxyphenyl]formamide 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: 86.0%

formic acid (64-18-6) + 4-(2-(2-bromophenyl)ethyl)-3-aminoanisole (223787-52-8) → N-(2-(2-(2-bromophenyl)ethyl)-5-methoxyphenyl)formamide (223787-57-3)

Guidance literature:

With sodium formate; for 3h; Heating;

DOI:10.1002/jhet.5570360110

Reference yield:

4-methoxy-2-nitrobenzyl bromide (57559-52-1) → N-(2-(2-(2-bromophenyl)ethyl)-5-methoxyphenyl)formamide (223787-57-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 5 h / Heating

2: 47 percent / NaH / 1,2-dimethoxy-ethane / 2 h / Heating

3: 98 percent / H₂, morpholine / 5 percent Rh/C / ethanol; methanol / 4 h / 18100.2 Torr / Ambient temperature

4: 86 percent / HCOONa / 3 h / Heating

With morpholine; hydrogen; sodium formate; sodium hydride; Rh on carbon; In methanol; 1,2-dimethoxyethane; ethanol;

DOI:10.1002/jhet.5570360110

Reference yield:

4-Methyl-3-nitroanisole (17484-36-5) → N-(2-(2-(2-bromophenyl)ethyl)-5-methoxyphenyl)formamide (223787-57-3)

Guidance literature:

Multi-step reaction with 5 steps

1: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 28 h / Heating

2: 5 h / Heating

3: 47 percent / NaH / 1,2-dimethoxy-ethane / 2 h / Heating

4: 98 percent / H₂, morpholine / 5 percent Rh/C / ethanol; methanol / 4 h / 18100.2 Torr / Ambient temperature

5: 86 percent / HCOONa / 3 h / Heating

With morpholine; N-Bromosuccinimide; Perbenzoic acid; hydrogen; sodium formate; sodium hydride; Rh on carbon; In methanol; tetrachloromethane; 1,2-dimethoxyethane; ethanol;

DOI:10.1002/jhet.5570360110

upstream raw materials:

formic acid

4-(2-(2-bromophenyl)ethyl)-3-aminoanisole

4-methoxy-2-nitrobenzyl bromide

4-Methyl-3-nitroanisole

Downstream raw materials:

3-Methoxy-10,11-dihydro-dibenzazepin

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