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About This Item
Linear Formula:
BrC6H3(OCH3)(CH2CH2NH2)
CAS Number:
Molecular Weight:
230.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
refractive index
n20/D >1.5800 (lit.)
density
1.389 g/mL at 25 °C (lit.)
SMILES string
COc1ccc(CCN)cc1Br
InChI
1S/C9H12BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChI key
JHVALSRTUOVNLL-UHFFFAOYSA-N
Related Categories
General description
3-Bromo-4-methoxyphenethylamine can be synthesized by reacting N-benzoyl-3-bromo-4-methoxyphenethylamine, acetic acid and HCl in the presence of N2.
Application
3-Bromo-4-methoxyphenethylamine (3-Bromo-4-methoxy-β-phenethylamine) may be used as a starting reagent in the synthesis of 3-bromo-4-methoxy-5-nitro-β-phenethylamine. It may also be used to synthesize 4-bromo-N-(3-bromo-4-methoxyphenethyl)-1H-pyrrole-2-carboxamide.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
wgk_germany
WGK 3
flash_point_f
230.0 °F
flash_point_c
110 °C
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Certificates of Analysis (COA)
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Synthesis of Aminoisoquinolines and Related Compounds. X. A Modified Synthesis of dl-Cularine.
Ishiwata S, et al.
Chemical & Pharmaceutical Bulletin, 18(9), 1850-1855 (1970)
Syntheses of the marine metabolites verongamine, hemibastadin-2, and aerothionin using the cyano ylide coupling methodology.
Wasserman HH and Wang J.
The Journal of Organic Chemistry, 63(16), 5581-5586 (1998)
Total synthesis and biological evaluation of the marine bromopyrrole alkaloid dispyrin: elucidation of discrete molecular targets with therapeutic potential.
Kennedy JP, et al.
Journal of Natural Products, 1783-1786 (2008)
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