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399000

Sigma-Aldrich

2,2,2-Trifluoroethyl butyrate

98%

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About This Item

Linear Formula:
CH3CH2CH2COOCH2CF3
CAS Number:
371-27-7
Molecular Weight:
170.13
Beilstein:
1769212
MDL number:
MFCD00077609
UNSPSC Code:
12352100
PubChem Substance ID:
24864780

Assay

98%

refractive index

n20/D 1.347 (lit.)

bp

113 °C/747 mmHg (lit.)

density

1.127 g/mL at 25 °C (lit.)

SMILES string

CCCC(=O)OCC(F)(F)F

InChI

1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3

InChI key

DEXWRCYOMLUJRF-UHFFFAOYSA-N

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General description

Solvent effects on porcine pancreatic lipase-catalyzed transesterification of 2,2,2-trifluoroethyl butyrate has been studied. Kinetics of the reaction of OH radicals and Cl atoms with 2,2,2 trifluoroethyl butyrate has been reported.

Application

2,2,2-Trifluoroethyl butyrate may be used in the lipase catalyzed resolution of unsubstituted and N-alkyl substituted 2-amino-1-phenylethanols. It may be used in the synthesis of enantiomerically pure (R)- or (S)-1-aminoindane.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

69.8 °F - closed cup

Flash Point(C)

21 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

399000-25ML:
399000-VAR:
399000-BULK:
399000-5ML:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Lipase catalysis in the optical resolution of 2-amino-1-phenylethanol derivatives.
Kanerva LT, et al.
Journal of the Chemical Society. Perkin Transactions 1, 14, 1759-1762 (1992)
Tropospheric degradation of 2, 2, 2 trifluoroethyl butyrate: Kinetic study of their reactions with OH radicals and Cl atoms at 298K.
Blanco MB, et al.
Chemical Physics Letters, 578, 33-37 (2013)
W H Boesten et al.
Organic letters, 3(8), 1121-1124 (2001-05-12)
[reaction: see text]. Diastereoselective Strecker reactions based on (R)-phenylglycine amide as chiral auxiliary are reported. The Strecker reaction is accompanied by an in situ crystallization-induced asymmetric transformation, whereby one diastereomer selectively precipitates and can be isolated in 76-93% yield and
L T Kanerva et al.
Acta chemica Scandinavica (Copenhagen, Denmark : 1989), 44(10), 1032-1035 (1990-11-01)
Porcine pancreatic lipase-catalysed transesterifications of 2,2,2-trifluoroethyl butyrate with racemic 2-octanol and 1-phenylethanol have been studied in different organic solvents. Solvent hydrophobicity (log P -1.1 to 3.3) has only a minor effect on the reaction rate. Independently of the solvent used

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