1-Boc-pyrrolidine-2-carbaldehyde - CAS 117625-90-8

Catalog:	BB003974
Product Name:	1-Boc-pyrrolidine-2-carbaldehyde
CAS:	117625-90-8
Synonyms:	2-formyl-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 2-formylpyrrolidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-formylpyrrolidine-1-carboxylate
Description:	1-Boc-pyrrolidine-2-carbaldehyde (CAS# 117625-90-8) is a useful research chemical.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC1C=O
InChI:	InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3
InChI Key:	YDBPZCVWPFMBDH-UHFFFAOYSA-N
Boiling Point:	276 °C
Density:	1.148 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD03790896
LogP:	1.52270

Publication Number	Title	Priority Date
WO-2021108628-A1	Substituted macrocyclic compounds and related methods of treatment	20191125
WO-2021048809-A1	Novel substituted sulfoximine derivatives	20190912
CN-112321590-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists	20190802
WO-2021023105-A1	Imidazo[2,1-f][1,2,4]triazin-4-amine derivative used as tlr8 agonist	20190802
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.1208434
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.1208434
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2