5-Chloro-4-hydroxy-1,3-benzenedimethanol - CAS 22002-29-5
Catalog: |
BB069896 |
Product Name: |
5-Chloro-4-hydroxy-1,3-benzenedimethanol |
CAS: |
22002-29-5 |
Synonyms: |
(5-Chloro-4-hydroxy-1,3-phenylene)dimethanol |
IUPAC Name: | 2-chloro-4,6-bis(hydroxymethyl)phenol |
Description: | 5-Chloro-4-hydroxy-1,3-benzenedimethanol is an intermediate in synthesizing Salbutamol Impurity L (S085550), an impurity of Salbutamol or Albuterol (A514501) which is a β2-adrenoceptor agonist, a bronchodilator and a tocolytic. |
Molecular Weight: | 188.61 |
Molecular Formula: | C8H9ClO3 |
Canonical SMILES: | C1=C(C=C(C(=C1CO)O)Cl)CO |
InChI: | InChI=1S/C8H9ClO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-2,10-12H,3-4H2 |
InChI Key: | AONNUJLOCLHEIW-UHFFFAOYSA-N |
Solubility: | DMF; Methanol |
Appearance: | White Solid |
Storage: | -20°C Freezer |
References: | Erram, S., et al. J. Pharmaceut. Biomed., 40, 864 (2006); Miyagawa, N., et al. Biol. Pharm. Bull., 31, 2260 (2008); Gonzalez-Munoz, C., et al. Eur. J. Pharmacol., 607, 151 (2009); Kern, C., et al. J. Med. Chem., 52, 1773 (2009). |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0240218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
-
Catalog: BB069928
((2S,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB067784
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine
Detail
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB061033
((2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB056966
(((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)-L-arginine
Detail
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[14245-62-6]
Isopropyl ethanesulfonate
-
[133407-82-6]
MG-132
-
[1427004-19-0]
DBCO-PEG4-NHS ester
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[3735-92-0]
Methyl dimethyldithiocarbamate
-
[10340-23-5]
cis-3-Nonen-1-ol
INDUSTRY LEADERS TRUST OUR PRODUCTS