2-Bromobenzyl alcohol - CAS 18982-54-2
Catalog: |
BB014675 |
Product Name: |
2-Bromobenzyl alcohol |
CAS: |
18982-54-2 |
Synonyms: |
(2-bromophenyl)methanol |
IUPAC Name: | (2-bromophenyl)methanol |
Description: | 2-Bromobenzyl Alcohol acts as a reagent for the synthesis of alkoxy tetrasubstituted chiral amino acids via three-component reaction of (diazo)oxindoles, alcohols and benzhydrylimino ester involving enantioselective trapping of oxonium ylides by benzhydrylimino ester. Also acts as a reagent for the preparation of orally active and liver-targeted prodrug of 5-fluoro-2'-deoxyuridine for treatment of hepatocellular carcinoma. |
Molecular Weight: | 187.03 |
Molecular Formula: | C7H7BrO |
Canonical SMILES: | C1=CC=C(C(=C1)CO)Br |
InChI: | InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
InChI Key: | IOWGHQGLUMEZKG-UHFFFAOYSA-N |
Boiling Point: | 261.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.565 g/cm3 |
Appearance: | White to beige crystalline powder or needles |
MDL: | MFCD00004600 |
LogP: | 1.94140 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210032339-A | An organoelectro luminescent compounds and organoelectro luminescent device using the same | 20210305 |
CN-112354565-A | Graphene oxide supported ruthenium catalyst and preparation method and application thereof | 20201111 |
CN-111333604-A | 3-oxo-isochroman-4-one derivative and synthesis method thereof | 20200413 |
WO-2021200694-A1 | Negamycin derivative | 20200330 |
WO-2021193950-A1 | Carbodiimide composition, hardener composition, coating composition, and cured resin object | 20200327 |
PMID | Publication Date | Title | Journal |
23381774 | 20130701 | Biochemical characterization of an alcohol dehydrogenase from Ralstonia sp | Biotechnology and bioengineering |
19331418 | 20090422 | Gold(I)-catalyzed coupling reactions for the synthesis of diverse small molecules using the build/couple/pair strategy | Journal of the American Chemical Society |
15755146 | 20050316 | Synthesis and fate of o-carboxybenzophenones in the biosynthesis of aflatoxin | Journal of the American Chemical Society |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.96803 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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