1-Boc-3-(bromomethyl)pyrrolidine - CAS 305329-97-9

Catalog:	BB020640
Product Name:	1-Boc-3-(bromomethyl)pyrrolidine
CAS:	305329-97-9
Synonyms:	3-(bromomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
Description:	1-Boc-3-(bromomethyl)pyrrolidine (CAS# 305329-97-9) is a useful research chemical.
Molecular Weight:	264.16
Molecular Formula:	C10H18BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)CBr
InChI:	InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3
InChI Key:	NQNGQGISAMHLST-UHFFFAOYSA-N
Boiling Point:	300.1 °C at 760 mmHg
Density:	1.312 g/cm³
MDL:	MFCD06410515
LogP:	2.57620

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2021080015-A1	Modulators of trek (twik related k+ channels) channel function	20191024
WO-2021000770-A1	Heterocyclic compound capable of enhancing immune activity, preparation method therefor and application in medicine	20190702
WO-2020030925-A1	Heterocyclic substituted ureas, for use against cancer	20180810
US-2021087196-A1	Triazolopyrimidine compounds and their use in treating cancer	20180511

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Related Functional Groups

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[98435-76-8]
1-Ethyl-L-proline
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.05209
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.05209
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3