3-[3-(Trifluoromethyl)phenyl]-1-propanol - CAS 78573-45-2
Catalog: |
BB036189 |
Product Name: |
3-[3-(Trifluoromethyl)phenyl]-1-propanol |
CAS: |
78573-45-2 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]-1-propanol; 3-[3-(trifluoromethyl)phenyl]propan-1-ol |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]propan-1-ol |
Description: | 3-[3-(Trifluoromethyl)phenyl]-1-propanol (CAS# 78573-45-2) is an intermediate in the synthesis of Cinacalcet-d4 Hydrochloride (C441803), a labeled analogue of Cinacalcet Hydrochloride (C441800), the (R) enantiomer of Cinacalcet which is used in clinical trial in secondary hyperparathyroidism. |
Molecular Weight: | 204.19 |
Molecular Formula: | C10H11F3O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CCCO |
InChI: | InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2 |
InChI Key: | QWXKQVIMGVVIBX-UHFFFAOYSA-N |
Boiling Point: | 236.906 °C at 760 mmHg |
Density: | 1.203 g/cm3 |
MDL: | MFCD08706408 |
LogP: | 2.63030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111153832-A | Preparation method of cinacalcet impurity | 20200120 |
JP-2019014687-A | Method for producing cinacalcet | 20170710 |
CN-109096070-B | Method for producing m-trifluoromethyl phenylpropyl aldehyde | 20170621 |
CN-106810452-A | A kind of preparation method of cinacalcet hydrochloride | 20170113 |
CN-106810452-B | A kind of preparation method of cinacalcet hydrochloride | 20170113 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.07619946 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.07619946 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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