N-Methylphthalimide - CAS 550-44-7

Name: N-Methylphthalimide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-methylisoindole-1,3-dione
Description:	An impurity of Rivaroxaban.Metabolite.Rivaroxaban inhibits both free Factor Xa and Factor Xa bound in the prothrombinase complex. It is a highly selective direct Factor Xa inhibitor with oral bioavailability and rapid onset of action.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	CN1C(=O)C2=CC=CC=C2C1=O
InChI:	InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChI Key:	ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Boiling Point:	286 °C at 760 mmHg
Melting Point:	132-134 °C
Purity:	98 %
Density:	1.314 g/cm³
Appearance:	White solid
MDL:	MFCD00023063
LogP:	0.85030

GHS Hazard Statement:	H315 (99.24%): 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-112851611-A	Preparation method of 4, 4' -diphenyl ether tetracarboxylic dianhydride	20210128
CN-112479975-A	Preparation method of N-alkyl phthalimide	20201228
CN-113493543-A	Conjugated diene polymer, process for producing the same, and rubber composition	20200408
CN-113493542-A	Conjugated diene polymer, method for producing same, conjugated diene polymer composition, and rubber composition	20200403
WO-2021201289-A1	Conjugated diene polymer, method for manufacturing conjugated diene polymer, conjugated diene polymer composition, and rubber composition	20200403

PMID	Publication Date	Title	Journal
19780541	20091105	Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals	Organic letters
19660980	20091015	Structural, vibrational and DFT studies on 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
18582076	20080807	Radical aminomethylation of unactivated alkenes	Organic letters
18558667	20080710	Toward prediction of alkane/water partition coefficients	Journal of medicinal chemistry
18529029	20080704	Control of photophysical properties and photoreactions of aromatic imides by use of intermolecular hydrogen bonding	The Journal of organic chemistry

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3