Trifluoroacetaldehyde ethyl hemiacetal - CAS 433-27-2

Name: Trifluoroacetaldehyde ethyl hemiacetal
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025384
Product Name:	Trifluoroacetaldehyde ethyl hemiacetal
CAS:	433-27-2
Synonyms:	1-ethoxy-2,2,2-trifluoroethanol

Technical Data

IUPAC Name:	1-ethoxy-2,2,2-trifluoroethanol
Description:	Trifluoroacetaldehyde ethyl hemiacetal (CAS# 433-27-2) is used in the synthesis of peptidomimetic inhibitors of the human cytomegalovirus protease. It is also used in the synthesis of transforming growth factor-β type receptor inhibitors.
Molecular Weight:	144.09
Molecular Formula:	C4H7F3O2
Canonical SMILES:	CCOC(C(F)(F)F)O
InChI:	InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
InChI Key:	KLXJPQNHFFMLIG-UHFFFAOYSA-N
Boiling Point:	104-105 °C
Purity:	95 %
Density:	1.24 g/cm³
Appearance:	Clear, colorless liquid.
Storage:	0-6 °C
MDL:	MFCD00000441
LogP:	0.90360

GHS Hazard Statement:	H226 (97.87%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (19.15%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (14.89%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021178488-A1	Eif4e inhibitors and uses thereof	20200303
US-2021292330-A1	Pyrrolidine-fused heterocycles	20200228
WO-2021172319-A1	Curable resin, curable resin composition, cured product, electronic device, laminated board material, electronic component encapsulant, and method for producing curable resin	20200228
WO-2021173923-A1	Pyrrolidine-fused heterocycles	20200228
WO-2021108683-A1	Covalent ras inhibitors and uses thereof	20191127

PMID	Publication Date	Title	Journal
21394886	20110801	Synthesis of allylic trifluoromethyl ketones and their activity as inhibitors of the sex pheromone of the leopard moth, Zeuzera pyrina L. (Lepidoptera: Cossidae)	Pest management science
21413741	20110506	Organocatalytic asymmetric direct aldol reactions of trifluoroacetaldehyde ethyl hemiacetal with aromatic methyl ketones	The Journal of organic chemistry
21081773	20110201	The anticonvulsant effects of propofol and a propofol analog, 2,6-diisopropyl-4-(1-hydroxy-2,2,2-trifluoroethyl)phenol, in a 6 Hz partial seizure model	Anesthesia and analgesia
21126099	20110107	Reversal of diastereoselectivity in reactions of the trifluoroacetaldehyde ethyl hemiacetal with enamines and imines: metal-free, complementary anti- and syn-selective synthesis of 4,4,4-trifluoro-1-aryl-3-hydroxy-2-methyl-1-butanones	The Journal of organic chemistry
15367972	20040921	Practical asymmetric synthesis of beta-hydroxy-beta-trifluoromethylated ketones via the first example of the in situ generation of trifluoro-acetaldehyde and its successive asymmetric carbon-carbon bond formation reaction with chiral imines	Chemical communications (Cambridge, England)

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.03981395
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.03981395
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1