Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester

Base Information

• Chemical Name: Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester
• CAS No.: 26039-74-7
• Molecular Formula: C14H16 Cl N O6
• Molecular Weight: 329.737
• Hs Code.: 2917399090
• UNII: W6CT2W97DY
• Mol file: 26039-74-7.mol

Synonyms:PROPANEDIOIC ACID, 2-(3-CHLORO-4-NITROPHENYL)-2-METHYL-, 1,3-DIETHYL ESTER;SCHEMBL7035586;UCPDPMHNVNYSTI-UHFFFAOYSA-N;Diethyl(3-chloro-4-nitrophenyl)methylmalonate;diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate;diethyl 2-(3-chloro-4-nitrophenyl)-2-methylpropanedioate;diethyl alpha-methyl-alpha-(3-chloro-4-nitrophenyl)-malonate;1,3-DIETHYL 2-(3-CHLORO-4-NITROPHENYL)-2-METHYLPROPANEDIOATE

Chemical Property of Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester

Chemical Property:

• Vapor Pressure: 1.29E-07mmHg at 25°C
• Boiling Point: 430.5°Cat760mmHg
• Flash Point: 214.2°C
• PSA: 98.42000
• Density: 1.306g/cm³
• LogP: 3.05630
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 329.0666149
• Heavy Atom Count: 22
• Complexity: 418

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+](=O)[O-])Cl)C(=O)OCC

Technology Process of Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester

There total 4 articles about Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester 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:

Reference yield:

2-chloro-4-fluoro-1-nitrobenzene (2106-50-5) + Diethyl methylmalonate (609-08-5) → Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate (26039-74-7)

Guidance literature:

Diethyl methylmalonate; With sodium hydride; In dimethyl sulfoxide; at 15 ℃;

2-chloro-4-fluoro-1-nitrobenzene; In dimethyl sulfoxide; at 15 ℃;

DOI:10.1021/jm0502541

Reference yield:

2,4-dichloronitrobenzene (611-06-3) + Diethyl methylmalonate (609-08-5) → Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate (26039-74-7)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) DMF, 50 deg C, 20 min, 2.) DMF, 100 deg C, 2 h;

DOI:10.1021/jm00356a019

upstream raw materials:

2,4-dichloronitrobenzene

Diethyl methylmalonate

2-chloro-4-fluoro-1-nitrobenzene

Downstream raw materials:

Diethyl 2-methyl-2-(3-methylthio-4-nitrophenyl)malonate

2-Methyl-2-(3-methylsulfanyl-4-thiazol-2-yl-phenyl)-malonic acid diethyl ester

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

2-Methyl-2-(3-methylsulfanyl-4-thiocarbamoyl-phenyl)-malonic acid diethyl ester

Refernces

• 1、 Naito,Goto,Akahoshi,Ono,Yoshitomi,Okano,Sugiyama,Abe,Hanada,Hirata,Watanabe,Fukaya,Yokoyama,Fujita. "Preparation and biological activity of 2-[4-(thiazol-2-yl)phenyl]propionic acid derivatives inhibiting cyclooxygenase". . p. 2323 - 2332. Retrieved 2007/10/02.
• 2、 -. "Tertiary aminoacids". . . Retrieved 2008/06/13.