Diethyl(4-amino-3-chlorophenyl)methylmalonate

Base Information

• Chemical Name: Diethyl(4-amino-3-chlorophenyl)methylmalonate
• CAS No.: 25814-36-2
• Molecular Formula: C14H18 Cl N O4
• Molecular Weight: 299.754
• Hs Code.: 2922499990
• Mol file: 25814-36-2.mol

Synonyms:SCHEMBL11152774;Diethyl(4-amino-3-chlorophenyl)methylmalonate

Chemical Property of Diethyl(4-amino-3-chlorophenyl)methylmalonate

Chemical Property:

• Vapor Pressure: 1.98E-06mmHg at 25°C
• Boiling Point: 394.5°Cat760mmHg
• Flash Point: 192.4°C
• PSA: 78.62000
• Density: 1.234g/cm³
• LogP: 2.78830
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 299.0924357
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C1=CC(=C(C=C1)N)Cl)C(=O)OCC

Technology Process of Diethyl(4-amino-3-chlorophenyl)methylmalonate

There total 7 articles about Diethyl(4-amino-3-chlorophenyl)methylmalonate 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:

Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate (26039-74-7) → diethyl (4-amino-3-chlorophenyl)methylmalonate (25814-36-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; Ambient temperature;

DOI:10.1248/cpb.39.2323

Reference yield:

2-chloro-4-fluoro-1-nitrobenzene (2106-50-5) → diethyl (4-amino-3-chlorophenyl)methylmalonate (25814-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / dimethylsulfoxide / 15 °C

1.2: dimethylsulfoxide / 15 °C

2.1: H₂ / Pd/C / ethanol / atmospheric pressure

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; dimethyl sulfoxide;

DOI:10.1021/jm0502541

Reference yield:

Diethyl methylmalonate (609-08-5) → diethyl (4-amino-3-chlorophenyl)methylmalonate (25814-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / dimethylsulfoxide / 15 °C

1.2: dimethylsulfoxide / 15 °C

2.1: H₂ / Pd/C / ethanol / atmospheric pressure

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol; dimethyl sulfoxide;

DOI:10.1021/jm0502541

upstream raw materials:

Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate

2-chloro-4-fluoro-1-nitrobenzene

Diethyl methylmalonate

2,4-dichloronitrobenzene

Downstream raw materials:

2-(3-Chloro-4-cyano-phenyl)-2-methyl-malonic acid diethyl ester

diethyl (3-chloro-4-hydroxyphenyl)methylmalonate

diethyl (4-amino-3,5-dichlorophenyl)methylmalonate

2-[3-Chloro-4-(2,2,2-trifluoro-acetylamino)-phenyl]-2-methyl-malonic acid diethyl ester

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