4-(tert-Butoxycarbonyl)benzoic Acid - CAS 20576-82-3
Catalog: |
BB016075 |
Product Name: |
4-(tert-Butoxycarbonyl)benzoic Acid |
CAS: |
20576-82-3 |
Synonyms: |
4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid; 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid |
Description: | 4-(tert-Butoxycarbonyl)benzoic Acid (CAS# 20576-82-3) is used in the synthesis of pyrrolidinone analogs acting as potential 20S proteasome inhibitors. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14) |
InChI Key: | ILBDCOLCHNVWNS-UHFFFAOYSA-N |
Boiling Point: | 351.8 °C at 760 mmHg |
Density: | 1.173 g/cm3 |
MDL: | MFCD04037901 |
LogP: | 2.34010 |
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-2021190789-A1 | Compositions and methods for bioluminescent detection using multifunctional probes | 20191210 |
WO-2021119149-A1 | Compositions and methods for bioluminescent detection using multifunctional probes | 20191210 |
WO-2021057074-A1 | Novel high-temperature-resistant high-strength high-light-transmittance cycloolefin copolymer and preparation method therefor | 20190928 |
EP-3771711-A1 | Pyrazole derivatives for controlling arthropods | 20190729 |
WO-2020264243-A1 | Novel polycondensation prepolyesters, other copolyester precursors, and copolyesters made therefrom | 20190628 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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