tert-Butyl (Chloromethyl) Succinate - CAS 432037-43-9

Catalog:	BB025365
Product Name:	tert-Butyl (Chloromethyl) Succinate
CAS:	432037-43-9
Synonyms:	butanedioic acid O4-tert-butyl ester O1-(chloromethyl) ester; 4-O-tert-butyl 1-O-(chloromethyl) butanedioate

Technical Data

Patents

Computed Properties

IUPAC Name:	4-O-tert-butyl 1-O-(chloromethyl) butanedioate
Description:	tert-Butyl (Chloromethyl) Succinate (CAS# 432037-43-9 ) is a useful research chemical.
Molecular Weight:	222.67
Molecular Formula:	C9H15ClO4
Canonical SMILES:	CC(C)(C)OC(=O)CCC(=O)OCCl
InChI:	InChI=1S/C9H15ClO4/c1-9(2,3)14-8(12)5-4-7(11)13-6-10/h4-6H2,1-3H3
InChI Key:	ZEHMWPBRDVLBMH-UHFFFAOYSA-N
Boiling Point:	255 ℃
Density:	1.139 g/cm³
MDL:	MFCD13194872
LogP:	1.84780

Publication Number	Title	Priority Date
EP-3771711-A1	Pyrazole derivatives for controlling arthropods	20190729
WO-2021018849-A1	Pyrazole derivatives for controlling arthropods	20190729
TW-202019410-A	2-arylbenzimidazole as PPARGC1A activator for the treatment of neurodegenerative diseases	20180806
US-10851066-B2	2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases	20180806
US-2020299244-A1	2-arylbenzimidazoles as ppargc1a activators for treating neurodegenerative diseases	20180806

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.0658866
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.0658866
Rotatable Bond Count:	7
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5