N-Boc-4,4-difluoro-L-proline - CAS 203866-15-3

Name: N-Boc-4,4-difluoro-L-proline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015879
Product Name:	N-Boc-4,4-difluoro-L-proline
CAS:	203866-15-3
Synonyms:	(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Technical Data

IUPAC Name:	(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Description:	N-Boc-4,4-difluoro-L-proline (CAS# 203866-15-3) is a reagent used in the preparation of structure-activity relationship and pharmacokinetics of pyrrolotriazines as pan-Aurora kinase inhibitors and anti tumor agents.
Molecular Weight:	251.23
Molecular Formula:	C10H15F2NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F
InChI:	InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1
InChI Key:	WTMZYKCXBXPVPT-LURJTMIESA-N
Boiling Point:	340.4 °C at 760 mmHg
Purity:	97+ %
Density:	1.31 g/cm³
MDL:	MFCD03094917
LogP:	1.65360

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
WO-2020035557-A1	Novel heteroaromatic modulators of the retinoid-related orphan receptor gamma	20180817
US-2019270739-A1	Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases	20180301
CN-111867584-A	Ethylenediamine-heterocyclic derivatives as inhibitors of protein arginine methyltransferase	20180301
BR-112020017541-A2	STRUCTURAL FORMULA I COMPOUND OR SAME SALT, PHARMACEUTICAL COMPOSITION, METHOD FOR PRMT INHIBITION, METHOD FOR MODULAR GENE EXPRESSION, AND METHOD FOR TREATING A DISEASE MEDIATED BY PRMT	20180301

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	251.09691428
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.09691428
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5