2-Hydroxy-3-methoxy-3,3-diphenylpropanoic Acid - CAS 178306-51-9
Catalog: |
BB013442 |
Product Name: |
2-Hydroxy-3-methoxy-3,3-diphenylpropanoic Acid |
CAS: |
178306-51-9 |
Synonyms: |
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid; 2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid |
IUPAC Name: | 2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid |
Description: | 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic Acid (CAS# 178306-51-9) is used as a reactant in the preparation of mixed endothelin A and endothelin B selective receptor antagonist (dimethylpyrimidinyloxy)diphenylpropionic acids. |
Molecular Weight: | 272.30 |
Molecular Formula: | C16H16O4 |
Canonical SMILES: | COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)O |
InChI: | InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19) |
InChI Key: | RQJWOLFMWKZKCJ-UHFFFAOYSA-N |
Boiling Point: | 430.282 °C at 760 mmHg |
Density: | 1.249 g/cm3 |
MDL: | MFCD13152279 |
LogP: | 2.02210 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111099993-A | Preparation method of (S) -2-hydroxy-3-methoxy-3, 3-diphenyl propionic acid | 20191230 |
CN-111099962-A | Synthesis method of 2-hydroxy-3-methoxy-3, 3-diphenyl propionic acid | 20181029 |
CN-110437063-A | The preparation method of ambrisentan key intermediate | 20180503 |
CN-108250151-A | A kind of preparation method of ambrisentan | 20180117 |
CN-106011194-A | Preparation method of ambrisentan | 20160614 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.10485899 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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