Sodium tert-pentoxide solution - CAS 14593-46-5

Catalog:	BB010022
Product Name:	Sodium tert-pentoxide solution
CAS:	14593-46-5
Synonyms:	sodium;2-methylbutan-2-olate

Technical Data

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Computed Properties

IUPAC Name:	sodium;2-methylbutan-2-olate
Description:	Sodium tert-pentoxide solution (CAS# 14593-46-5 ) is a useful research chemical.
Molecular Weight:	110.13
Molecular Formula:	C5H11NaO
Canonical SMILES:	CCC(C)(C)[O-].[Na+]
InChI:	InChI=1S/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
InChI Key:	CGRKYEALWSRNJS-UHFFFAOYSA-N
Boiling Point:	113.1 °C at 760 mmHg
Melting Point:	200 °C
Purity:	95 %
Appearance:	Cream or light tan powder
Storage:	Flammables + water-Freezer (-20 °C)e area
MDL:	MFCD00064245
LogP:	1.60550

Publication Number	Title	Priority Date
CN-113233972-A	Synthesis method of (R) -2-benzyloxy propionic acid and intermediate thereof	20210622
CN-113214101-A	Synthesis method of L-tert-leucine and L-cyclohexylalanine	20210511
CN-112939848-A	Preparation method of bupivacaine and intermediate (S) -2-piperidinecarboxylic acid thereof	20210225
CN-112939738-A	Preparation method of 3, 5-dihydroxypentylbenzene	20210129
CN-112851479-A	Method for preparing chiral alkyl compound by catalyzing asymmetric hydrogenation reaction of olefin with iron complex catalyst	20210122

PMID	Publication Date	Title	Journal
15932307	20050610	Synthesis of a peroxime proliferator activated receptor (PPAR) alpha/gamma agonist via stereocontrolled Williamson ether synthesis and stereospecific SN2 reaction of S-2-chloro propionic acid with phenoxides	The Journal of organic chemistry

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GHS Hazard Statement:	H228 (84.44%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P235+P410, P240, P241, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P370+P378, P403+P233, P405, P407, P413, P420, and P501
Signal Word:	Danger

Complexity:	43.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.07075925
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.07075925
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0