tert-Butyl 4-Hydroxybutanoate - CAS 59854-12-5

Name: tert-Butyl 4-Hydroxybutanoate
Brand: BOC Sciences
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Catalog:	BB030531
Product Name:	tert-Butyl 4-Hydroxybutanoate
CAS:	59854-12-5
Synonyms:	4-hydroxybutanoic acid tert-butyl ester; tert-butyl 4-hydroxybutanoate

Technical Data

IUPAC Name:	tert-butyl 4-hydroxybutanoate
Description:	tert-Butyl 4-Hydroxybutanoate (CAS# 59854-12-5) is used as a reagent in the synthesis of theranostic vitamin-linker-taxoid conjugates. tert-Butyl 4-Hydroxybutanoate is also used as a reagent in the synthesis of teroxazoles as α-helix mimetics.
Molecular Weight:	160.21
Molecular Formula:	C8H16O3
Canonical SMILES:	CC(C)(C)OC(=O)CCCO
InChI:	InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3
InChI Key:	RXGFTUPFXKYRMW-UHFFFAOYSA-N
Boiling Point:	228.9 °C at 760 mmHg
Density:	0.976 g/mL at 20°C
LogP:	1.10060

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
WO-2020247973-A1	Methods and compositions for treating cancer with cancer-targeted adjuvants	20190603
WO-2020168011-A1	Compounds, compositions and methods	20190213
CN-113518618-A	Compounds, compositions and methods	20190213

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.109944368
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7