4-Iodomethyl-5-methyl-1,3-dioxol-2-one - CAS 80841-79-8

Catalog:	BB060625
Product Name:	4-Iodomethyl-5-methyl-1,3-dioxol-2-one
CAS:	80841-79-8
Synonyms:	(5-Methyl-2-oxo-1,3-dioxolen-4-yl)methyl iodide; Azilsartan Impurity 15

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(iodomethyl)-5-methyl-1,3-dioxol-2-one
Description:	4-Iodomethyl-5-methyl-1,3-dioxol-2-one is a useful building block for larger organic molecules
Molecular Weight:	240
Molecular Formula:	C5H5IO3
Canonical SMILES:	CC1=C(OC(=O)O1)CI
InChI:	InChI=1S/C5H5IO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChI Key:	SMTDIEBUWFHPON-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2022509507-A	Quinoline derivative as an Î±4Î²7 integrin inhibitor	20181030
WO-2019166950-A1	10-(di(phenyl)methyl)-4-hydroxy-8,9,9a,10-tetrahydro-7h-pyrrolo[1 ',2':4,5]pyrazino[1,2-b]pyridazine-3,5-dione derivatives and related compounds as inhibitors of the orthomyxovirus replication for treating influenza	20180228
AU-2019227250-A1	10-(di(phenyl)methyl)-4-hydroxy-8,9,9a,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-b]pyridazine-3,5-dione derivatives and related compounds as inhibitors of the orthomyxovirus replication for treating influenza	20180228
CN-111801333-A	10- (di (phenyl) methyl) -4-hydroxy-8, 9,9a, 10-tetrahydro-7H-pyrrolo [1',2':4,5] pyrazino [1,2-b ] pyridazine-3, 5-dione derivatives and related compounds as inhibitors of orthomyxovirus replication for the treatment of influenza	20180228
KR-20200125654-A	10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1',2':4 as an inhibitor of orthomyxovirus replication for the treatment of influenza ,5]pyrazino[1,2-B]pyridazine-3,5-dione derivatives and related compounds	20180228
US-2020407366-A1	10-(di(phenyl)methyl)-4-hydroxy-8,9,9a,10-tetrahydro-7h-pyrrolo[1 ',2':4,5]pyrazino[1,2-b]pyridazine-3,5-dione derivatives and related compounds as inhibitors of the orthomyxovirus replication for treating influenza	20180228
BR-112020017121-A2	DERIVATIVES FROM 10- (DI (PHENYL) METHIL) -4-HYDROXY-8,9,9A-10-TETRA-HYDRO-7H-PYRROLEUM [1 ', 2': 4,5] PIRAZINO [1,2-B] PIRIDAZINE-3,5-DIONA AND COMPOUNTS RELATED AS INHIBITORS OF ORTHOMYXOVIRUS REPLICATION FOR TREATMENT OF INFLUENZA	20180228
EP-3759113-A1	10-(di(phenyl)methyl)-4-hydroxy-8,9,9a,10-tetrahydro-7h-pyrrolo[1 ',2':4,5]pyrazino[1,2-b]pyridazine-3,5-dione derivatives and related compounds as inhibitors of the orthomyxovirus replication for treating influenza	20180228
JP-2021514984-A	10- (di (phenyl) methyl) -4-hydroxy-8,9,9a, 10-tetrahydro-7H-pyrrolo [1', 2': 4 as an inhibitor of orthomyxovirus replication to treat influenza , 5] Pyrazino [1,2-b] pyridazine-3,5-dione derivatives and related compounds	20180228
AU-2019227250-B2	10-(di(phenyl)methyl)-4-hydroxy-8,9,9a,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-b]pyridazine-3,5-dione derivatives and related compounds as inhibitors of the orthomyxovirus replication for treating influenza	20180228

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.92834
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.92834
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7