2-[[2-[(6-Bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene - CAS 503070-57-3
Catalog: |
BB026998 |
Product Name: |
2-[[2-[(6-Bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene |
CAS: |
503070-57-3 |
Synonyms: |
2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene; 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene |
IUPAC Name: | 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene |
Description: | 2-[[2-[(6-Bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene (CAS# 503070-57-3) is an intermediate in the synthesis of Vilanterol Trifenatate-d4 (V260002). Vilanterol Trifenatate (V260000) is a long-acting β2 adrenergic receptor Agonist. It demonstrates prolonged bronchodilation in subjects with asthma and COPD. |
Molecular Weight: | 384.14 |
Molecular Formula: | C15H21BrCl2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl |
InChI: | InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2 |
InChI Key: | AKLUHFHHUBIDQA-UHFFFAOYSA-N |
LogP: | 5.48190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (66.67%): 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 |
Publication Number | Title | Priority Date |
WO-2021033198-A1 | An improved process for preparation of vilanterol or a pharmaceutically acceptable salt thereof | 20190816 |
CN-111807973-A | Preparation method of vilanterol and salt thereof | 20190410 |
WO-2017001907-A1 | Biocatalytic processes for the preparation of vilanterol | 20150629 |
US-2015239862-A1 | Process for the preparation of vilanterol and intermediates thereof | 20120913 |
EP-1592656-A2 | Medicinal compounds | 20030214 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 382.0102 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 382.0102 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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