dimethyl 2-(trifluoromethyl)propanedioate

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Names

[ Name ]:
dimethyl 2-(trifluoromethyl)propanedioate

[Synonym ]:
dimethyl trifluoromethylmalonate
Dimethyl-trifluormethyl-malonat
dimethyl 2-trifluoromethylmalonate
Trifluormethyl-malonsaeure-dimethylester
Trifluoromethylmalonsaeure-dimethylester

Chemical & Physical Properties

[ Density]:
1.322g/cm3

[ Boiling Point ]:
172.7ºC at 760mmHg

[ Molecular Formula ]:
C₆H₇F₃O₄

[ Molecular Weight ]:
200.11300

[ Flash Point ]:
57.2ºC

[ Exact Mass ]:
200.03000

[ PSA ]:
52.60000

[ LogP ]:
0.51090

[ Index of Refraction ]:
1.365

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO1860000

CHEMICAL NAME :: Malonic acid, (trifluoromethyl)-, dimethyl ester

CAS REGISTRY NUMBER :: 5838-00-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H7-F3-O4

MOLECULAR WEIGHT :: 200.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Dimethyl-trifluormethyl-brommalonat
DIMETHYL 2-[DI(METHYLTHIO)METHYLIDENE]MALONATE
Methanol
1,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl ether
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

DownStream

Dimethyl methylmalonate
trimethylmethane tricarboxylate
dimethyl 2-methyl-2-(trifluoromethyl)propanedioate
dimethyl 2-benzyl-2-(trifluoromethyl)propanedioate
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-oxo-2-(trifluoromethyl)prop-2-enoate
1-O-(chloromethyl) 3-O-methyl 2-chloro-2-(trifluoromethyl)propanedioate

Related Compounds

dimethyl 2-benzyl-2-(trifluoromethyl)propanedioate
dimethyl 2-methyl-2-(trifluoromethyl)propanedioate
dimethyl 2-(3-oxopentyl)-2-(trifluoromethyl)propanedioate
dimethyl [2-(trifluoromethyl)phenyl] phosphate
dimethyl 2-(trifluoromethyl)butanedioate
diethyl 2-(trifluoromethyl)propanedioate
Sodium (1-methanesulfonylpyrrolidin-3-yl)methanesulfinate
Sodium 5-carbamoyl-2,3-dimethylbenzene-1-sulfinate
Sodium 4-methoxy-3-phenylbenzene-1-sulfinate
Sodium 5-ethyl-4-methoxy-2-methylbenzene-1-sulfinate
Sodium 4-fluoro-3-(pyrrolidine-1-carbonyl)benzene-1-sulfinate
Sodium 4-(diethylsulfamoyl)benzene-1-sulfinate
(2R)-4-(1-ethyl-1H-imidazol-2-yl)butan-2-amine
Sodium 2,6-difluoro-4-nitrobenzene-1-sulfinate
sodium 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}ethane-1-sulfinate
Sodium 4-(cyclohexylmethoxy)benzene-1-sulfinate

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