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1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene

1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene - CAS 1103738-29-9

Catalog:	BB002617
Product Name:	1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene
CAS:	1103738-29-9
Synonyms:	1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene; 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
Description:	1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene (CAS# 1103738-29-9) is used in the synthesis of Dapagliflozin (D185370), a sodium-glucose transporter 2 inhibitor.
Molecular Weight:	372.63
Molecular Formula:	C15H14ClIO
Canonical SMILES:	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl
InChI:	InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
InChI Key:	CZFRIPGHKLGMEU-UHFFFAOYSA-N
LogP:	4.93410

Publication Number	Title	Priority Date
CN-112409224-A	Synthetic method of sulfonamide compound	20201120
CN-111057032-A	Preparation method of dapagliflozin	20191108
WO-2020040433-A1	Method for preparation of sglt-2 inhibitor, dapagliflozin precursor	20180822
CN-107540685-B	Preparation method and intermediate of Sotagliflozin	20170904
JP-2020514327-A	Novel glucose derivative that is an SGLT-2 inhibitor	20170224

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Related Functional Groups

Halides

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	371.97779
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	371.97779
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.5