N-Boc-3-(trifluoromethyl)aniline - CAS 109134-07-8
Catalog: |
BB002382 |
Product Name: |
N-Boc-3-(trifluoromethyl)aniline |
CAS: |
109134-07-8 |
Synonyms: |
N-[3-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(trifluoromethyl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[3-(trifluoromethyl)phenyl]carbamate |
Description: | N-Boc-3-(trifluoromethyl)aniline (CAS# 109134-07-8) is a reactant used in the preparation of transthyretin amyloidosis inhibitors containing carborane pharmacophores. It is also used in the design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists. |
Molecular Weight: | 261.24 |
Molecular Formula: | C12H14F3NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(F)(F)F |
InChI: | InChI=1S/C12H14F3NO2/c1-11(2,3)18-10(17)16-9-6-4-5-8(7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17) |
InChI Key: | PLLZDOLFXQKWQG-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11040633 |
LogP: | 4.12540 |
Publication Number | Title | Priority Date |
CN-113214113-A | Preparation method of aniline para-trifluoromethylated derivative | 20210407 |
EP-3475275-A1 | 3-aryl and heteroaryl substituted 5-trifluoromethyl oxadiazoles as histone deacetylase 6 (hdac6) inhibitors | 20160623 |
US-2019185462-A1 | 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (hdac6) inhibitors | 20160623 |
WO-2017222951-A1 | 3-aryl and heteroaryl substituted 5-trifluoromethyl oxadiazoles as histone deacetylase 6 (hdac6) inhibitors | 20160623 |
US-11066396-B2 | 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors | 20160623 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.09766318 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.09766318 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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