2,2,2-Trichloroacetimidic Acid 2-Phenylpropan-2-yl Ester, Technical Grade - CAS 147221-33-8

Catalog:	BB075673
Product Name:	2,2,2-Trichloroacetimidic Acid 2-Phenylpropan-2-yl Ester, Technical Grade
CAS:	147221-33-8
Synonyms:	2,2,2-Trichlorotthanimidic Acid 1-Methyl-1-phenylethyl Ester

Technical Data

IUPAC Name:	2-phenylpropan-2-yl 2,2,2-trichloroethanimidate
Description:	2,2,2-Trichloroacetimidic Acid 2-Phenylpropan-2-yl Ester, can be used in the synthesis of various pharmaceutical compounds. It can be used in the preparation of cyclic peptides and lactam-bridged dipeptides.
Molecular Weight:	280.58
Molecular Formula:	C11H12Cl3NO
Canonical SMILES:	CC(C)(C1=CC=CC=C1)OC(=N)C(Cl)(Cl)Cl
InChI:	InChI=1S/C11H12Cl3NO/c1-10(2,8-6-4-3-5-7-8)16-9(15)11(12,13)14/h3-7,15H,1-2H3
InChI Key:	BWGVXRMDMKDUEJ-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless to Yellow Oil
Storage:	4°C, Hygroscopic
References:	Tegge, W. et al. J. Pep. Sci., 31, 693 (2007); Galaud, L. wt al. Biopolymers., 80, 665 (2005).

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.998447
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	278.998447
Rotatable Bond Count:	3
Topological Polar Surface Area:	33.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1