(S)-alpha-(Chloromethyl)-2,4-dichlorobenzyl Alcohol - CAS 126534-31-4
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 |
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 |
WO-2021019310-A1 | Process for the preparation of luliconazole | 20190801 |
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 |
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