(1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester

Base Information

• Chemical Name: (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester
• CAS No.: 50966-08-0
• Molecular Formula: C13H17Cl3NO4P
• Molecular Weight: 388.615
• European Community (EC) Number: 684-277-9
• DSSTox Substance ID: DTXSID20389046
• ChEMBL ID: CHEMBL1548481
• Mol file: 50966-08-0.mol

Synonyms:50966-08-0;(1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester;Phosphonic acid, [1-(benzoylamino)-2,2,2-trichloroethyl]-, diethyl ester;MLS000557179;CHEMBL1548481;DTXSID20389046;AKOS002662701;SMR000173820;SR-01000323870;SR-01000323870-1;diethyl 1-benzoylamino-2,2,2-trichloroethylphosphonate;diethyl 1-(benzoylamino)-2,2,2-trichloroethylphosphonate;InChI=1/C13H17Cl3NO4P/c1-3-20-22(19,21-4-2)12(13(14,15)16)17-11(18)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,17,18)

Chemical Property of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester

Chemical Property:

• PSA: 77.93000
• LogP: 4.95360
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 386.996078
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1)OCC

Technology Process of (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid diethyl ester

There total 2 articles about (1-Benzoylamino-2,2,2-trichloro-ethyl)-phosphonic acid 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:

N-(1,2,2,2-tetrachloroethyl)benzamide (6798-35-2) + triethyl phosphite (122-52-1) → Diethyl-2,2,2-trichlor-1-bnzoylamino-ethylphosphonat (50966-08-0)

Guidance literature:

DOI:10.1055/s-2003-42458

Reference yield:

→ Diethyl-2,2,2-trichlor-1-bnzoylamino-ethylphosphonat (50966-08-0)

Guidance literature:

N-(1,2,2,2-Tetrachlorethyl)-benzamid, Triethylphosphit;

Reference yield: 85.0%

Diethyl-2,2,2-trichlor-1-bnzoylamino-ethylphosphonat (50966-08-0) + cytisine (485-35-8) → C24H28N3O5P

Guidance literature:

With triethylamine; In ethanol; for 180h; Solvent; Reflux; Inert atmosphere;

DOI:10.1134/S1070363217020153

upstream raw materials:

N-(1,2,2,2-tetrachloroethyl)benzamide

triethyl phosphite

Downstream raw materials:

diethyl 5-hydrazino-2-phenyl-1,3-oxazol-4-ylphosphonate

N-(2,2,2-Trichloro-acetyl)-benzamide

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