3-(Boc-amino)-3-(bromomethyl)oxetane - CAS 1802048-91-4

Catalog:	BB013650
Product Name:	3-(Boc-amino)-3-(bromomethyl)oxetane
CAS:	1802048-91-4
Synonyms:	N-[3-(bromomethyl)-3-oxetanyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(bromomethyl)oxetan-3-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[3-(bromomethyl)oxetan-3-yl]carbamate
Description:	3-(Boc-amino)-3-(bromomethyl)oxetane (CAS# 1802048-91-4 ) is a useful research chemical.
Molecular Weight:	266.13
Molecular Formula:	C9H16BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1(COC1)CBr
InChI:	InChI=1S/C9H16BrNO3/c1-8(2,3)14-7(12)11-9(4-10)5-13-6-9/h4-6H2,1-3H3,(H,11,12)
InChI Key:	SEUDVXPZTLKDKT-UHFFFAOYSA-N
LogP:	2.06590

Publication Number	Title	Priority Date
EP-3402782-B1	8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
AU-2015208244-A1	Process for the preparation of N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
AU-2015208244-B2	Process for the preparation of N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
EP-3097098-A1	Process for the preparation of n-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124
EP-3097098-B1	Process for the preparation of n-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-1,4-benzothiazepin-4-yl)-6-methyl-quinazolin-4-amine	20140124

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Related Functional Groups

Oxetane/Thietane

[1394319-79-9]
Ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate
[1864252-66-3]
N-(2,2-dimethylthietan-3-yl)-2,2-difluoropropanamide
[1379811-98-9]
3-(3-Bromophenyl)oxetan-3-ol
[1393441-68-3]
tert-Butyl ((3-(hydroxymethyl)oxetan-3-yl)methyl)carbamate
[1554288-33-3]
3-(2-aminoethyl)oxetan-3-ol
[1245816-27-6]
1-Boc-6-oxa-1-azaspiro[3.3]heptane

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.03136
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.03136
Rotatable Bond Count:	4
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2