Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate

Base Information

• Chemical Name: Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate
• CAS No.: 141546-96-5
• Molecular Formula: C9H17 F2 N O3
• Molecular Weight: 225.236
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID20374356
• Mol file: 141546-96-5.mol

Synonyms:141546-96-5;ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate;3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionic Acid Ethyl Ester;Ethyl 3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionate;DTXSID20374356;MFCD00722253;AKOS015850688;FS-5739;CS-0446191;D2782;FT-0643328;T70265;J-007514;ethyl3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate;3-Dimethylamino-3-ethoxy-2,2-difluoropropionic acid ethyl ester;3-(DIMETHYLAMINO)-3-ETHOXY-2,2-DIFLUOROPROPIONICACIDETHYLESTER

Chemical Property of Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate

Chemical Property:

• Vapor Pressure: 0.00954mmHg at 25°C
• Refractive Index: 1.412
• Boiling Point: 67-71°C 1,5mm
• Flash Point: 113.9°C
• PSA: 38.77000
• Density: 1.09
• LogP: 1.10900
• Storage Temp.: Refrigerator
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 225.11764973
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionate >95.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34-36/37/38:
• Hazard Codes: R34-36/37/38:
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(C(=O)OCC)(F)F)N(C)C

Technology Process of Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate

There total 4 articles about Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate 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: 95.0%

C5H13NO + ethyl 2-chloro-2,2-difluoroacetate (383-62-0) → ethyl 3-ethoxy-2,2-difluoro-3-(dimethylamino)propionate (141546-96-5)

Guidance literature:

ethyl 2-chloro-2,2-difluoroacetate; With chloro-trimethyl-silane; 1,1-Dibromoethane; zinc; In N,N-dimethyl-formamide;

C₅H₁₃NO; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

DOI:10.1080/10426500601087418

Reference yield: 84.0%

ethyl 2-chloro-2,2-difluoroacetate (383-62-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → ethyl 3-ethoxy-2,2-difluoro-3-(dimethylamino)propionate (141546-96-5)

Guidance literature:

With diethyl sulfate; zinc; Product distribution; Mechanism; multistep reaction, other DMF activators;

Reference yield: 64.0%

ethyl 2-chloro-2,2-difluoroacetate (383-62-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + ethyl ester of p-toluenesulfonic acid (80-40-0) → ethyl 3-ethoxy-2,2-difluoro-3-(dimethylamino)propionate (141546-96-5)

Guidance literature:

With zinc; at 80 ℃; for 5h;

DOI:10.1039/c39920000540

upstream raw materials:

ethyl 2-chloro-2,2-difluoroacetate

chloroformic acid ethyl ester

N,N-dimethyl-formamide

ethyl ester of p-toluenesulfonic acid

Downstream raw materials:

2,2-difluoro-3-hydroxy-3-(4-nitro-benzoylamino)-propionic acid ethyl ester

2,2-Difluoro-3-[5-oxo-5H-furan-(2E)-ylidene]-propionic acid ethyl ester

3-Dimethylamino-2,2-difluoro-3-(5-oxo-2,5-dihydro-furan-2-yl)-propionic acid ethyl ester

3-Dimethylamino-2,2-difluoro-5-oxo-5-phenyl-pentanoic acid ethyl ester