1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic Acid - CAS 862574-88-7

Name: 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037871
Product Name:	1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic Acid
CAS:	862574-88-7
Synonyms:	1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-cyclopropanecarboxylic acid; 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

Technical Data

IUPAC Name:	1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Description:	1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic Acid (CAS# 862574-88-7) is used in processes for preparation of Tezacaftor and intermediates thereof.
Molecular Weight:	242.18
Molecular Formula:	C11H8F2O4
Canonical SMILES:	C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O
InChI:	InChI=1S/C11H8F2O4/c12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15/h1-2,5H,3-4H2,(H,14,15)
InChI Key:	IELWGOUPQRHXLS-UHFFFAOYSA-N
Appearance:	Powder
MDL:	MFCD13190001
LogP:	2.12430

Publication Number	Title	Priority Date
WO-2021140525-A1	Novel crystalline form of 1-(2,2-difluoro-2h-1,3benzo dioxol-5-yl)-n-{1-[(2r)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1h-indol-5-yl}cyclopropane-1-carboxamide and its process for the preparation thereof	20200107
WO-2020242935-A1	Methods of treatment for cystic fibrosis	20190529
US-10875846-B2	Processes for the preparation of Tezacaftor and intermediates thereof	20190115
US-2020223832-A1	Processes for the Preparation of Tezacaftor and Intermediates Thereof	20190115
WO-2020102346-A1	Methods of treatment for cystic fibrosis	20181114

Complexity:	353
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.03906506
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.03906506
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3