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About This Item
Empirical Formula (Hill Notation):
C6H6BrNO
CAS Number:
Molecular Weight:
188.02
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
assay
95%
refractive index
n20/D 1.555 (lit.)
bp
80 °C/12 mmHg (lit.)
density
1.453 g/mL at 25 °C (lit.)
functional group
bromo
SMILES string
COc1ccc(Br)cn1
InChI
1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChI key
XADICJHFELMBGX-UHFFFAOYSA-N
Application
A building block for the β-alanine moiety of an αvβ3 antagonist and for the synthesis of a potent and selective somatostatin sst3 receptor antagonist.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
204.8 °F - closed cup
flash_point_c
96 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Nobuyoshi Yasuda et al.
The Journal of organic chemistry, 69(6), 1959-1966 (2004-04-03)
A practical preparation of an alpha(v)beta(3) antagonist is reported. The antagonist consists of three key components, a tetrahydronaphthyridine moiety, a beta-alanine moiety, and a central imidazolidone moiety. The tetrahydronaphthyridine component was prepared using two different methods, both of which relied
Negishi Cross-Coupling Reactions Catalyzed by an Aminophosphine-Based Nickel System: A Reliable and General Applicable Reaction Protocol for the High-Yielding Synthesis of Biaryls.
Gerber R and Frech CM.
Chemistry (Weinheim An Der Bergstrasse, Germany), 17(42), 11893-11904 (2011)
Tetrahedron Asymmetry, 14, 3469-3469 (2003)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 510297-5ML | 04061838128201 |
| 510297-25ML | 04061838128195 |
