4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl - CAS 147118-37-4

Name: 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010160
Product Name:	4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl
CAS:	147118-37-4
Synonyms:	N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-yl-2-pyrimidinyl]-N-methylmethanesulfonamide; N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide

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IUPAC Name:	N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Description:	Rosuvastatin intermediate.
Molecular Weight:	351.40
Molecular Formula:	C16H18FN3O3S
Canonical SMILES:	CC(C)C1=NC(=NC(=C1C=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI:	InChI=1S/C16H18FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-10H,1-4H3
InChI Key:	WOCOTUDOVSLFOB-UHFFFAOYSA-N
Boiling Point:	536.594 °C at 760 mmHg
Purity:	98.0%
Density:	1.32 g/cm³
MDL:	MFCD08458342
LogP:	3.69520

GHS Hazard Statement:	H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, 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-111518035-A	Rosuvastatin tert-butylamine salt and preparation method thereof	20200618
CN-111138369-A	Preparation method of rosuvastatin intermediate	20191217
CN-109824605-A	The synthetic method of rosuvastain calcium	20190314
CN-109836386-A	The synthesis technology of rosuvastain calcium	20190313
CN-109836386-B	Synthetic process of rosuvastatin calcium	20190313

Complexity:	529
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	351.10529078
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	351.10529078
Rotatable Bond Count:	5
Topological Polar Surface Area:	88.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1

4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl - CAS 147118-37-4

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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