Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate

Base Information

Chemical Name:Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate
CAS No.:370-35-4
Molecular Formula:C15H16 F3 N O4
Molecular Weight:331.292
Hs Code.:2922499990
European Community (EC) Number:206-726-6
NSC Number:79889
DSSTox Substance ID:DTXSID00190490
Nikkaji Number:J213.560D
Mol file:370-35-4.mol

Synonyms:370-35-4;Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate;diethyl 2-[[3-(trifluoromethyl)anilino]methylidene]propanedioate;EINECS 206-726-6;Diethyl [(alpha,alpha,alpha-trifluoro-m-toluidino)methylene]malonate;diethyl 2-{[3-(trifluoromethyl)anilino]methylene)malonate;diethyl 2-{[3-(trifluoromethyl)anilino]methylene}malonate;NSC79889;SCHEMBL4742564;DTXSID00190490;C15-H16-F3-N-O4;NSC 79889;NSC-79889;AKOS024332376;[3-(Trifluoromethyl)phenylaminomethylene]malonic acid diethyl ester;Diethyl[(alpha,alpha,alpha-trifluoro-m-toluidino)methylene]malonate;DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE;Malonic acid, (alpha,alpha,alpha-trifluoro-m-toluidine)methylene-, diethyl ester;Propanedioic acid, (((3-(trifluoromethyl)phenyl)amino)methylene)-, diethyl ester

Suppliers and Price of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE AldrichCPR
250mg
$ 57.00

American Custom Chemicals Corporation
DIETHYL((ALPHA,ALPHA,ALPHA-TRIFLUORO-META-TOLUIDINO)METHYLENE)-MALONATE 95.00%
5MG
$ 501.73

Total 11 raw suppliers

Chemical Property of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate

Chemical Property:

Boiling Point:340.4°Cat760mmHg
Flash Point:159.7°C
PSA：64.63000
Density:1.282g/cm³
LogP:3.20040
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:331.10314248
Heavy Atom Count:23
Complexity:429

Purity/Quality:

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

DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=CNC1=CC=CC(=C1)C(F)(F)F)C(=O)OCC

Technology Process of Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate

There total 3 articles about Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate 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%

: 98-16-8
3-trifluoromethylaniline

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 370-35-4
diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate

Guidance literature:: at 90 - 110 ℃; for 1h;
DOI:10.1021/jm980146x

Reference yield:

: ethoxy-methyl-malonic acid diethyl ester

: 98-16-8
3-trifluoromethylaniline

: 370-35-4
diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate

Guidance literature:

Reference yield:

: 105-53-3
diethyl malonate

: 370-35-4
diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride; zinc(II) chloride / 4 h / Inert atmosphere; Reflux

2: ethanol / 2 h / Reflux

With acetic anhydride; zinc(II) chloride; In ethanol;
DOI:10.1016/j.bmcl.2013.03.118