2-(2-Bromoethyl)-1,3-dioxane - CAS 33884-43-4

Name: 2-(2-Bromoethyl)-1,3-dioxane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-(2-bromoethyl)-1,3-dioxane
Description:	2-(2-Bromoethyl)-1,3-dioxane (CAS# 33884-43-4) is an building block used for the synthesis of various pharmaceutical compounds such as Oxaflumazine (O758550), an Antipsychotic. It provides a useful means of introducing a masked ß-formylethyl group.
Molecular Weight:	195.05
Molecular Formula:	C6H11BrO2
Canonical SMILES:	C1COC(OC1)CCBr
InChI:	InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChI Key:	WMDHQEHPOVOEOG-UHFFFAOYSA-N
Boiling Point:	67-70 °C (2.8 mmHg)
Purity:	> 97.0 % (GC)
Density:	1.431 g/cm³
Appearance:	Liquid
MDL:	MFCD00006567
LogP:	1.53440

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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CN-113372335-A	Phenylalanine derivative containing 1,2, 4-triazole thioether and preparation method and application thereof	20210705
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PMID	Publication Date	Title	Journal
15917897	20050607	A rapid and general method for the asymmetric synthesis of 2-substituted pyrrolidines using tert-butanesulfinamide	Organic & biomolecular chemistry
6469456	19840601	Use of triphenylmethyl (trityl) amino protecting group in the synthesis of ketomethylene analogues of peptides	International journal of peptide and protein research

Complexity:	71.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.99424
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.99424
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3