N-Boc-trans-4-fluoro-L-proline methyl ester - CAS 203866-18-6

Catalog:	BB015880
Product Name:	N-Boc-trans-4-fluoro-L-proline methyl ester
CAS:	203866-18-6
Synonyms:	1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-; 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-; 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate; 1-(tert-Butyl) 2-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate

Technical Data

IUPAC Name:	1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate
Description:	N-Boc-trans-4-fluoro-L-proline methyl ester, a critical entity pervasively employed in the pharmaceutical sector, emerges as a fundamental constituent facilitating synthesis across diverse compounds. Its pivotal role extends to the realm of drug development for targeted disease intervention, exemplifying its versatility and significance in medicinal advancement.
Molecular Weight:	247.26
Molecular Formula:	C11H18FNO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)F
InChI:	InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChI Key:	METPQQHVRNLTRX-SFYZADRCSA-N
Boiling Point:	296.5±40.0°C at 760 mmHg
Purity:	≥95%
Density:	1.16±0.1 g/cm3
Appearance:	Viscous liquid to solid
Storage:	Store at 2-8°C
MDL:	MFCD07367993
LogP:	1.44480

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	247.12198622
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.12198622
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6