(Boc-aminooxy)acetic Acid

Bezeichnung:(Boc-aminooxy)acetic Acid

CAS-Nr42989-85-5

Englisch Name:(Boc-aminooxy)acetic Acid

CBNumberCB0356387

SummenformelC7H13NO5

Molgewicht191.18

MOL-Datei42989-85-5.mol

(Boc-aminooxy)acetic Acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	~115 °C (dec.)
Dichte	1.214±0.06 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Soluble in methanol.
Aggregatzustand	Solid
pka	2.97±0.10(Predicted)
Farbe	White to Off-White
BRN	6137646
InChI	InChI=1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
InChIKey	QBXODCKYUZNZCY-UHFFFAOYSA-N
SMILES	C(O)(=O)CONC(OC(C)(C)C)=O
CAS Datenbank	42989-85-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
HS Code	2928 00 90
HazardClass	IRRITANT

Gefahreninformationscode (GHS)

(Boc-aminooxy)acetic Acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
White powder
Verwenden
(Boc-aminooxy)acetic acid was used in the preparation of Boc-aminooxy tetra(ethylene glycol).
Verwenden
A Boc-protected bifunctional linking reagent
Verwenden
(Boc-aminooxy)acetic acid was employed to introduce a hydroxylamine moiety into peptides; reaction with an aldehyde to an oxime. It was used in the preparation of Boc-aminooxy tetra(ethylene glycol).
Synthese
(Boc-aminooxy)acetic acid is prepared by the reaction of Di-tert-butyl dicarbonate and Aminooxyacetic acid. The specific synthesis steps are as follows:
A 500 mL round-bottom flask was charged with a suspension of aminooxyacetic acid (4 g, 36.6 mmol) in CH2Cl2 (100 mL). The solution was cooled to 0° C. and triethylamine (16 mL, 114 mmol) was added dropwise while stiffing to dissolve all solids. To this mixture was added a solution of di-tert-butyl dicarbonate (12 g, 55 mmol) in CH2Cl2 (20 mL). The reaction was stirred for 30 min at 0° C., then continued for 1 h at rt. The solution was washed with three 100 mL portions of water. The aqueous portion was combined and extracted with two 100 mL portions of EtOAc; this EtOAc was discarded. The pH of the aqueous portion was adjusted to 3.5 with 1 M HCl, then extracted with five 50 mL portions of EtOAc, adjusting to maintain pH 3.5 as needed. The combined EtOAc was dried over Na2SO4, filtered, and the solvent removed in vacuo to afford a white crystalline powder (5.8 g, 83percent). TLC: (MeOH:CH2Cl2, 1:9) Rf=0.08. 1H NMR (400 MHz, CD3OD): δ 1.48 (s, 9H), 4.47 (s, 2H), 7.94 (s, 1H). 13C NMR (100 MHz, CD OD): δ, 27.1, 47.0, 72.3, 81.4, 157.8, 171.3.
Solubility in organics
Soluble in DCM, THF, DMF and DMSO

(Boc-aminooxy)acetic Acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

42989-85-5, (Boc-aminooxy)acetic Acid Verwandte Suche:

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