2-Amino-4'-fluorobenzophenone - CAS 3800-06-4

Name: 2-Amino-4'-fluorobenzophenone
Brand: BOC Sciences
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Catalog:	BB023483
Product Name:	2-Amino-4'-fluorobenzophenone
CAS:	3800-06-4
Synonyms:	2-Aminophenyl 4-Fluorophenyl Ketone; o-(p-Fluorobenzoyl)aniline; (2-Amino-4'-fluoro-phenyl)-phenyl-methanone; 2-Amino-4'-fluorobenzophenone
Application:	An intermediate in the preparation of the anticholesteremic Pitavastatin.

Technical Data

IUPAC Name:	(2-aminophenyl)-(4-fluorophenyl)methanone
Description:	2-Amino-4'-fluorobenzophenone is an intermediate in the preparation of Pitavastatin, which is a potent HMG-CoA reductase inhibitor for hypercholesterolemia (elevated cholesterol) and prevention of cardiovascular disease.
Molecular Weight:	215.22
Molecular Formula:	C13H10FNO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)N
InChI:	InChI=1S/C13H10FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChI Key:	FFFXIQFESQNINT-UHFFFAOYSA-N
Boiling Point:	390.6±27.0°C (Predicted)
Melting Point:	122-128°C
Purity:	≥95%
Density:	1.236±0.06 g/cm³ (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Light yellow to yellow solid
Storage:	Store at 2-8°C
LogP:	3.22010

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110606839-B	Green synthesis method of polysubstituted quinazoline derivative	20190930
WO-2019214482-A1	Phenyl amino sodium propionate derivative, preparation method therefor and application thereof	20180509
JP-2019147912-A	Process for producing polyarylene sulfide	20180228
CN-109574863-A	A kind of synthetic method of -4 ' of 2- amino-fluoro- benzophenone	20170928
CN-107652192-B	Method for preparing 2-amino-4' -fluoro-benzophenone	20170928

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.074642105
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.074642105
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4