N-(4-Bromophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enamide

Base Information

• Chemical Name: N-(4-Bromophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enamide
• CAS No.: 5342-62-1
• Molecular Formula: C20H19BrN2O3
• Molecular Weight: 415.2805
• DSSTox Substance ID: DTXSID60364130
• Mol file: 5342-62-1.mol

Synonyms:5342-62-1;N-(4-BROMOPHENYL)-2-CYANO-3-(3-METHOXY-4-PROPAN-2-YLOXY-PHENYL)PROP-2-ENAMIDE;DTXSID60364130;AKOS030660581

Chemical Property of N-(4-Bromophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 1.03E-13mmHg at 25°C
• Boiling Point: 586°C at 760 mmHg
• Flash Point: 308.2°C
• Density: 1.39g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 414.05791
• Heavy Atom Count: 26
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)OC

Technology Process of N-(4-Bromophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enamide

There total 2 articles about N-(4-Bromophenyl)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enamide 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-chloro-aniline (106-47-8) → C10H10ClNO2S (5342-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / acetone / 1 h / 20 °C

2: N,N-dimethyl-formamide / 0 °C / Darkness

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; acetone;

DOI:10.1002/cmdc.202100618

Reference yield:

2-chloro-N-(4-chlorophenyl)acetamide (3289-75-6) + potassium thioacetate (10387-40-3) → C10H10ClNO2S (5342-62-1)

Guidance literature:

In N,N-dimethyl-formamide; at 0 ℃; Darkness;

DOI:10.1002/cmdc.202100618

Reference yield:

C10H10ClNO2S (5342-62-1) → 2,2’-dithiobis(N-(4-chlorophenyl)acetamide) (86011-37-2)

Guidance literature:

With water; potassium carbonate; In methanol; at 90 ℃; for 1h; Inert atmosphere;

DOI:10.1002/cmdc.202100618

upstream raw materials:

4-chloro-aniline

2-chloro-N-(4-chlorophenyl)acetamide

potassium thioacetate

Downstream raw materials:

2,2’-dithiobis(N-(4-chlorophenyl)acetamide)

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