Boc-cis-Pro(4-F)-OH - CAS 203866-13-1

Name: Boc-cis-Pro(4-F)-OH
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015877
Product Name:	Boc-cis-Pro(4-F)-OH
CAS:	203866-13-1
Synonyms:	Boc-(S)-γ-fluoro-L-proline; N-Boc-cis-4-fluoro-L-proline; N-(t-Butoxycarbonyl)-cis-4-fluoro-L-proline; (2S,4S)-1-(t-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid

Technical Data

IUPAC Name:	(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Description:	A reagent used in the synthesis of β-Amino pyrrolidine-2-carbonitrile derivatives as possible dipeptidyl peptidase IV (DPP4) inhibitors.
Molecular Weight:	233.24
Molecular Formula:	C10H16FNO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F
InChI:	InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChI Key:	YGWZXQOYEBWUTH-BQBZGAKWSA-N
Boiling Point:	346 °C at 760 mmHg
Purity:	97+ %
Density:	1.24 g/cm³
Appearance:	White powder
Storage:	Store at 2-8 °C
MDL:	MFCD04973957
LogP:	1.35640

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
CN-112812128-A	Macrocyclic compounds as ALK and ROS modulators	20191118
WO-2021031952-A1	Oxygen-substituted six-membered ring pyrimidine compound, preparation method and medical use thereof	20190816
WO-2021028643-A1	Heterocyclic compounds for use in the treatment of cancer	20190809
US-2020115389-A1	Fused tricyclic ring derivatives as src homology-2 phosphatase inhibitors	20180918

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	233.10633615
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.10633615
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3