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About This Item
Linear Formula:
BrC6H2(OCH3)2CHO
CAS Number:
Molecular Weight:
245.07
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
form
solid
mp
140-141 °C (lit.)
SMILES string
COc1cc(OC)c(C=O)cc1Br
InChI
1S/C9H9BrO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3
InChI key
PXDIELLGFUEAIX-UHFFFAOYSA-N
General description
5-Bromo-2,4-dimethoxybenzaldehyde undergoes coupling with benzo[b]thiophene-2-boronic acid in the presence of tetrakis(triphenylphosphine)palladium(0) to give 5-(benzo[b]thien-2-yl)-2,4-dimethoxybenzaldehyde.
Application
5-Bromo-2,4-dimethoxybenzaldehyde has been used in the preparation of 1,2-dihydro-4,6-dimethoxy-3-methylbenzocyclobuten-1-ol.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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An Efficient Synthesis of 5, 7-Dihydroxy-4-methylisobenzofuran-1 (3H)-one, a Metabolite of Aspergillus Flavus and a Key Intermediate in the Synthesis of Mycophenolic Acid.
Kobayashi K, et al.
Bulletin of the Chemical Society of Japan, 63(8), 2435-2437 (1990)
Charles Q Meng et al.
Bioorganic & medicinal chemistry letters, 14(6), 1513-1517 (2004-03-10)
Novel chalcone derivatives have been discovered as potent inhibitors of TNF-alpha-induced VCAM-1 expression. Thienyl or benzothienyl substitution at the meta-position of ring B helps boost potency while large substitution at the para-position on ring B is detrimental. Various substitutions are
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