1-Boc-3-bromoindole - CAS 143259-56-7
Catalog: |
BB009530 |
Product Name: |
1-Boc-3-bromoindole |
CAS: |
143259-56-7 |
Synonyms: |
3-bromo-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromoindole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromoindole-1-carboxylate |
Description: | 1-Boc-3-bromoindole (CAS# 143259-56-7) is a useful research chemical. |
Molecular Weight: | 296.16 |
Molecular Formula: | C13H14BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)Br |
InChI: | InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3 |
InChI Key: | DMNYMGSBBRRGOW-UHFFFAOYSA-N |
Boiling Point: | 367.9 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
MDL: | MFCD05864772 |
LogP: | 4.18700 |
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 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2020198478-A1 | Serotonin 5-ht2b inhibitory compounds | 20190328 |
WO-2019089648-A1 | Toll-like receptor 8 (tlr8)-specific antagonists and methods of making and uses thereof | 20171030 |
CN-111542515-A | TOLL-like receptor 8(TLR8) specific antagonist and preparation method and application thereof | 20171030 |
PMID | Publication Date | Title | Journal |
19191556 | 20090306 | Stereoselective synthesis of chiral IBR2 analogues | The Journal of organic chemistry |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.02079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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