Ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate

Base Information

• Chemical Name: Ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate
• CAS No.: 22212-55-1
• Deprecated CAS: 56770-92-4
• Molecular Formula: C18H17 Cl2 N O3
• Molecular Weight: 366.244
• Hs Code.: 29242990
• European Community (EC) Number: 244-845-5
• UNII: 95764D9P7D
• DSSTox Substance ID: DTXSID7040281
• Nikkaji Number: J11.422G
• Wikidata: Q22831374
• Mol file: 22212-55-1.mol

Synonyms:Alanine,N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester, DL- (8CI); DL-Alanine,N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester; Benzoylprop-ethyl; Endaven;Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propionate; Ethyl2-[N-(3,4-dichlorophenyl)benzamido]propionate; Ethyl2-[benzoyl(3,4-dichlorophenyl)amino]propionate; EthylN-benzoyl-N-(3,4-dichlorophenyl)-2-aminopropionate; FX 2182; Suffix

Chemical Property of Ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate

Chemical Property:

• Melting Point: 60-70oC
• Refractive Index: 1.6140 (estimate)
• Boiling Point: 493.4°Cat760mmHg
• PKA: -1.87±0.50(Predicted)
• Flash Point: 252.2°C
• PSA: 46.61000
• Density: 1.305g/cm³
• LogP: 4.59340
• Water Solubility.: 20mg/L(25 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 365.0585488
• Heavy Atom Count: 24
• Complexity: 440

Purity/Quality:

75% ^*data from raw suppliers

Benzoylprop-ethyl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 24-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2
• Uses: Benzoylprop-ethyl is used as a pesticide in agriculture.

Technology Process of Ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate

There total 2 articles about Ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate 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: 100.0%

ethyl ester of N-3,4-dichlorophenylalanine (22212-58-4,33878-52-3) + benzoyl chloride (98-88-4) → N-benzoyl-N-(3,4-dichlorophenyl)-2-amino-propionic acid ethyl ester (22212-55-1,38561-59-0)

Guidance literature:

In xylene; at 130 ℃; for 2h; Product distribution; Rate constant; Thermodynamic data; prototype reaction - oth. aminoacids, oth. temperature, E(activ.);

Reference yield:

→ N-benzoyl-N-(3,4-dichlorophenyl)-2-amino-propionic acid ethyl ester (22212-55-1,38561-59-0)

Guidance literature:

N-(3,4-Dichlorphenyl)-alaninethylester, PhCOCl;

Reference yield: 90.0%

N-benzoyl-N-(3,4-dichlorophenyl)-2-amino-propionic acid ethyl ester (22212-55-1,38561-59-0) → ethyl 2-(benzyl(3,4-dichlorophenyl)amino)propanoate

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 1,3-bis-(diphenylphosphino)propane; phenylsilane; In tetrahydrofuran; at 20 - 45 ℃; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201503584

upstream raw materials:

ethyl ester of N-3,4-dichlorophenylalanine

benzoyl chloride

Refernces

• 1、 -. "5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides". . . Retrieved 2008/06/13.