(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate

HCID 75951468

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Grundinformationen

CAS: 1075198-30-9
Standard-SMILES: CCOC(=O)C(C#N)=NOC(N1CCOCC1)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey: GPDHNZNLPKYHCN-UHFFFAOYSA-N
Summenformel: C12H19F6N4O4P
Durchschnittliche Molmasse: 428,27 g/mol

Namen und Bezeichner

Bevorzugter Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
IUPAC: [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium hexafluorophosphate
Englischer Name: COMU
Summenformel: C12H19F6N4O4P
Molmasse: 428.27

Namen und Synonyme

(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphateRefChem:392113682-899-5COMU1075198-30-9(1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphateC12H19F6N4O4PSCHEMBL21465366MFCD24368564COMU Reagent4-(6-Cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)morpholin-4-ium hexafluorophosphate(V)N-[1-(Cyano-2-ethoxy-2-oxoethylideneaminooxy)dimethylamino(morpholino)uronium hexafluorophosphate

Weitere Namen anzeigen

[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium,hexafluorophosphate4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium{{[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}-4-morpholinomethylene}dimethylammoniumCOMU(R) 97%COMU?elagolix intermediate 13COMU ISO 9001：2015 REACHCOMU NOVABIOCHEM(R) 25 G

COMU(R)S-1075198-30-9SCHEMBL19457975SCHEMBL19809686SCHEMBL29377849KCM-1015-PIGPDHNZNLPKYHCN-UHFFFAOYSA-N(1-Cyano-2-ethoxy-2-oxoethylidene aminooxy)dimethylaminomorpholino carbenium hexafluorophosphate

Datenbank-Bezeichner

CAS: 1075198-30-9
PubChem CID: 75951468
EC Number: 682-899-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 87,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 13
Frei drehbare Bindungen: 6
Schwere Atome: 27
Formalladung: 0
Komplexität: 516

Physikochemische Eigenschaften

Schmelzpunkt: 160 ℃ · ca 160℃
Siedepunkt: 127 · 127-129 °C
storage temp.: -15 °C · Store at -15°C to -25°C.
Löslichkeit: 1 mmol · Soluble in DMF 1mmol in 2mL.
Aggregatzustand: Powder or Solid
Farbe: White to pale yellow
Major Application: peptide synthesis
InChI: InChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;
InChIKey: GPDHNZNLPKYHCN-DZOOLQPHSA-N
SMILES: C1N(/C(/O/N=C(\C(OCC)=O)/C#N)=[N+](\C)/C)CCOC1.[P-](F)(F)(F)(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2934 99 90
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungCOMU is a third-generation uronium-type coupling reagent based on ethyl 2-cyano-2-(hydroxylamine)acetate (Oxyma) and a morpholino carbon skeleton. The presence of the morpholino group has a marked influence on the reagent's solubility, stability, and reactivity. COMU performed exceptionally well in the presence of only 1 equiv of base, confirming the effect of the hydrogen bond acceptor in the reaction. The by-products of COMU are water soluble and easily removed, making it an excellent choice of coupling reagent for solution-phase peptide synthesis[1].

VerwendenCOMU – Safer and More Efficient Peptide Coupling ReagentAdvantagesEqual or even superior performance to HATUNon-explosive (does not contain benzotriazole moiety)Suitable for solution phase & solid phase peptide synthesisUtmost retention of configuration – low to non-existent racemizationHigh solubility and stability in typical solventsVisual or colorimetric reaction monitoring possibleEasy removal of water-soluble by-products