N-Boc-2,5-dihydro-1H-pyrrole - CAS 73286-70-1

Catalog:	BB034812
Product Name:	N-Boc-2,5-dihydro-1H-pyrrole
CAS:	73286-70-1
Synonyms:	tert-butyl 2,5-dihydropyrrole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2,5-dihydropyrrole-1-carboxylate
Description:	N-Boc-2,5-dihydro-1H-pyrrole (CAS# 73286-70-1) is the pyrrole derivative, that can be used as a precursor to many natural products. It can also be the component of more complex macrocycles.
Molecular Weight:	169.22
Molecular Formula:	C9H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC=CC1
InChI:	InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3
InChI Key:	YEBDZDMYLQHGGZ-UHFFFAOYSA-N
Boiling Point:	220 °C
Purity:	97.0 %
Density:	1.055 g/cm³
MDL:	MFCD01863512
LogP:	1.73120

Publication Number	Title	Priority Date
CN-113307757-A	Preparation method of medical intermediate N-benzyl-3-pyrroline	20210526
CN-113185440-A	Preparation method of medical intermediate N-BOC-3-pyrroline	20210513
CN-113185479-A	Application of organic amine additive in synthesis of fluorescent dye intermediate through olefin hydroformylation reaction	20210427
CN-113024588-A	Preparation method of chiral N-Boc-pyrrolidine-3-boric acid compound	20210322
KR-20210110204-A	Novel imidazole derivatives having protein kinase activity and use thereof	20200228

PMID	Publication Date	Title	Journal
22424099	20120418	Highly selective asymmetric Rh-catalyzed hydroformylation of heterocyclic olefins	Journal of the American Chemical Society

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Related Functional Groups

Pyrroles

[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[2973-17-3]
N-Allylmaleimide
[5176-27-2]
N-Boc-pyrrole
[22106-33-8]
4-(1H-Pyrrol-1-yl)benzoic acid
[17450-29-2]
1-Hexylpyrrole-2,5-dione

Pyrrolines

[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole
[6913-92-4]
1-Benzyl-3-pyrroline
[59480-92-1]
2,5-Dimethyl-3-pyrroline, mixture of cis and trans
[766-36-9]
3-Ethyl-4-methyl-3-pyrrolin-2-one
[3317-61-1]
5,5-Dimethyl-1-pyrroline N-Oxide

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Complexity:	195
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3