1-Bromo-2-(2-propen-1-yloxy)-benzene - CAS 60333-75-7

Name: 1-Bromo-2-(2-propen-1-yloxy)-benzene
Brand: BOC Sciences
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Catalog:	BB071951
Product Name:	1-Bromo-2-(2-propen-1-yloxy)-benzene
CAS:	60333-75-7
Synonyms:	1-Bromo-2-(2-propenyloxy)-benzene; 1-(Allyloxy)-2-bromobenzene; 1-Bromo-2-allyloxybenzene; Allyl 2-bromophenyl Ether; Allyl o-Bromophenyl Ether; o-(Allyloxy)bromobenzene; o-Bromophenyl Allyl Ether

Technical Data

IUPAC Name:	1-bromo-2-prop-2-enoxybenzene
Description:	1-Bromo-2-(2-propen-1-yloxy)-benzene is used as a reagent to produce high yield (97%) 3-methyl-2,3-dihydrobenzofurans through reductive radical cyclization reactions.
Molecular Weight:	213.07
Molecular Formula:	C9H9BrO
Canonical SMILES:	C=CCOC1=CC=CC=C1Br
InChI:	InChI=1S/C9H9BrO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
InChI Key:	PXOIJEJWBLMJHW-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Clear Colorless Thick Oil
Storage:	-20°C
References:	Yoshimi, Y., et al. Tetrahedron Lett., 54, 2419 (2013); Vaillard, S., et al. J. Org. Chem., 69, 2037 (2004).

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.98368
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.98368
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1