4-tert-Butoxybenzyl Alcohol - CAS 51503-08-3
Catalog: |
BB027463 |
Product Name: |
4-tert-Butoxybenzyl Alcohol |
CAS: |
51503-08-3 |
Synonyms: |
[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol; [4-[(2-methylpropan-2-yl)oxy]phenyl]methanol |
IUPAC Name: | [4-[(2-methylpropan-2-yl)oxy]phenyl]methanol |
Description: | 4-tert-Butoxybenzyl Alcohol (CAS# 51503-08-3) is used as a reactant in the preparation of pyrimidinediones and triazinediones as prokineticin 1 receptor antagonists. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC(C)(C)OC1=CC=C(C=C1)CO |
InChI: | InChI=1S/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
InChI Key: | HXCIWXCKKJLNMH-UHFFFAOYSA-N |
Boiling Point: | 281.7 °C at 760 mmHg |
Density: | 1.019 g/cm3 |
LogP: | 2.35620 |
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 |
US-2021122713-A1 | Compounds, salts thereof and methods for treatment of diseases | 20170821 |
CA-2803539-A1 | Prokineticin 1 receptor antagonists for the treatment of pain | 20100628 |
EP-2585068-A1 | Prokineticin 1 receptor antagonists for the treatment of pain | 20100628 |
JP-2013533878-A | Prokineticin 1 receptor antagonist for the treatment of pain | 20100628 |
US-2011319418-A1 | Prokineticin 1 receptor antagonists for the treatment of pain | 20100628 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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