17618
2-Bromomethyl-1,3-dioxolane
purum, ≥95.5% (GC)
Synonym(s):
Bromoacetaldehyde ethylene acetal
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About This Item
Empirical Formula (Hill Notation):
C4H7BrO2
CAS Number:
Molecular Weight:
167.00
EC Number:
224-443-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
103309
MDL number:
grade
purum
assay
≥95.5% (GC)
refractive index
n20/D 1.482
bp
80-82 °C/27 mmHg (lit.)
density
1.613 g/mL at 25 °C (lit.)
SMILES string
BrCC1OCCO1
InChI
1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChI key
CKIIJIDEWWXQEA-UHFFFAOYSA-N
Application
2-Bromomethyl-1,3-dioxolane was used in the synthesis of 1,4-benzoxazepine (BZO) derivatives. It was also used in the preparation of Grignard reagent.
Other Notes
Useful synthon for the preparation of α,β-unsaturated aldehydes; Synthon, for the preparation of 1,4-dialdehyde monoacetals
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
143.6 °F - closed cup
flash_point_c
62 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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J.F. Borgne, et al. et al.
Tetrahedron Letters, 1379-1379 (1976)
T.M. Cresp et al.
Journal of the Chemical Society. Perkin Transactions 1, 39-39 (1974)
Schmeichel M and Redlich H.
Synthesis, 1996(08), 1002-1006 (1996)
K Kamei et al.
Bioorganic & medicinal chemistry letters, 11(4), 595-598 (2001-03-07)
A series of new 3-substituted-4-(4-aminobutyl)-1,4-benzoxazepin-5(4H)-one derivatives (1-5) which showed a very high affinity for 5-HT1A receptor with good selectivity over dopamine D2 receptor was synthesized. Among these compounds, 3-chloro-4-[4-[4-(2-pyridinyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl]-1,4-benzoxazepin-5(4H)-one (5: SUN N4057) exhibited remarkable neuroprotective activity in a transient middle
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