1-Boc-3-methyleneazetidine - CAS 934664-41-2

Catalog:	BB040935
Product Name:	1-Boc-3-methyleneazetidine
CAS:	934664-41-2
Synonyms:	3-methylene-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-methylideneazetidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-methylideneazetidine-1-carboxylate
Description:	1-Boc-3-methyleneazetidine (CAS# 934664-41-2) is a useful reagent used in the preparation of functionalized difluorocyclopropanes as building blocks for drug discoveries.
Molecular Weight:	169.22
Molecular Formula:	C9H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(=C)C1
InChI:	InChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h1,5-6H2,2-4H3
InChI Key:	MECAHFSQQZQZOI-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD12031229
LogP:	1.73120

Publication Number	Title	Priority Date
JP-2021119176-A	Cyclic peptide compound with Kras inhibitory effect	20191107
JP-6880352-B1	Cyclic peptide compound with Kras inhibitory effect	20191107
KR-20210064234-A	Cyclic peptide compound having Kras inhibitory action	20191107
WO-2021090855-A1	Cyclic peptide compound having kras inhibiting action	20191107
US-2021128744-A1	Thienoazepine immunoconjugates, and uses thereof	20191025

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GHS Hazard Statement:	H302+H312+H332 (98.73%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.110278721
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1