(S)-alpha-(Chloromethyl)-2,4-dichlorobenzyl Alcohol - CAS 126534-31-4

Name: (S)-alpha-(Chloromethyl)-2,4-dichlorobenzyl Alcohol
Brand: BOC Sciences
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Catalog:	BB006598
Product Name:	(S)-alpha-(Chloromethyl)-2,4-dichlorobenzyl Alcohol
CAS:	126534-31-4
Synonyms:	(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol; (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol

Technical Data

IUPAC Name:	(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol
Description:	(S)-alpha-(Chloromethyl)-2,4-dichlorobenzyl Alcohol (CAS# 126534-31-4) is a building block used in synthetic organic chemistry such as in the asymmetric chemoenzymatic synthesis of miconazole and econazole enantiomers.
Molecular Weight:	225.50
Molecular Formula:	C8H7Cl3O
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C(CCl)O
InChI:	InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m1/s1
InChI Key:	XHEPANNURIQWRM-MRVPVSSYSA-N
Appearance:	White to light yellow powder to crystal
MDL:	MFCD07776655
LogP:	3.26560

Publication Number	Title	Priority Date
CN-111875595-A	Preparation method of azole antifungal drug	20200817
CN-110982757-A	Enterobacter cloacae ZJPH1903 and application	20191230
CN-110982757-B	Enterobacter cloacae ZJPH1903 and application	20191230
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WO-2020240178-A1	Catalysts	20190528

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	223.956248
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.956248
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9