4-Chloromethyl-5-methyl-1,3-dioxol-2-one - CAS 80841-78-7
Catalog: |
BB036561 |
Product Name: |
4-Chloromethyl-5-methyl-1,3-dioxol-2-one |
CAS: |
80841-78-7 |
Synonyms: |
4-(chloromethyl)-5-methyl-1,3-dioxol-2-one |
IUPAC Name: | 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one |
Description: | A metabolite of Olmesartan, which is a specific angiotensin II type 1 (AT1) receptor antagonist with antihypertensive effect. hAT1 receptors: IC50 = 6.22 nM. |
Molecular Weight: | 148.54 |
Molecular Formula: | C5H5ClO3 |
Canonical SMILES: | CC1=C(OC(=O)O1)CCl |
InChI: | InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3 |
InChI Key: | QCLFSYYUWPUWQR-UHFFFAOYSA-N |
Boiling Point: | 163.2 ℃ at 760 mmHg |
Purity: | > 95 % |
Density: | 1.362 g/cm3 |
Appearance: | Light yellow oil |
MDL: | MFCD07787494 |
LogP: | 1.28000 |
GHS Hazard Statement: | H302 (91.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214215-A | Preparation method of key intermediate of olmesartan medoxomil | 20210520 |
CN-112321559-A | Chemical synthesis method of 4-chloromethyl-5-methyl-1, 3-dioxol-2-one | 20201027 |
CN-111646971-A | Method for synthesizing 4- (hydroxymethyl) -5-methyl- [1,3] dioxol-2-one | 20200722 |
CN-111595982-A | Method for detecting 1, 3-dioxolane impurities | 20200629 |
CN-212227612-U | Energy-saving photoinitiator's absorption drying equipment | 20200518 |
PMID | Publication Date | Title | Journal |
16927829 | 20060601 | [A novel synthesis of olmesartan medoxomil and examination of its related impurities] | Yao xue xue bao = Acta pharmaceutica Sinica |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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