ChemicalBook--->CAS DataBase List--->1075198-30-9

1075198-30-9

1075198-30-9 Structure

1075198-30-9 Structure
IdentificationBack Directory
[Name]

COMU
[CAS]

1075198-30-9
[Synonyms]

COMU(R) 97%
elagolix intermediate 13
COMU ISO 9001:2015 REACH
COMU NOVABIOCHEM(R) 25 G
{{[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}-4-morpholinomethylene}dimethylammonium
[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium
(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxayl] (dimethylamino)methylene]-hexafluorophosphate
1-[1-(Cyano-2-ethoxy-2-oxoethylideneaMinooxy)-diMethylaMino-Morpholino]-uroniuM hexafluorophosphate
4-(6-Cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)morpholin-4-ium hexafluorophosphate
{[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}dimethylamino(morpholin-4-yl)carbenium hexafluorophosp
4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium
COMU 4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium
4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium(COMU?)
COMU 4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium,98%
(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium Hexafluorophosphate (This product is only available in Japan.)
[EINECS(EC#)]

682-899-5
[Molecular Formula]

C12H19N4O4.PF6
[MDL Number]

MFCD11975052
[MOL File]

1075198-30-9.mol
[Molecular Weight]

428.268
Chemical PropertiesBack Directory
[Melting point ]

ca 160℃
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMF 1mmol in 2mL.
[form ]

Powder or Solid
[color ]

White to pale yellow
[Sensitive ]

Air & Moisture Sensitive
[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
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2934 99 90
Hazard InformationBack Directory
[Description]

COMU 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].
[Uses]

(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholinocarbenium hexafluorophosphate is used as a coupling reagent in the peptide synthesis. It is suitable for solution phase & solid phase peptide synthesis, visual or colorimetric reaction monitoring possible.
[General Description]

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is a Safer, non-explosive and more effective replacement for Benzotriazole-Based peptide coupling reagents and thus aligns with "Less Hazardous Chemical Synthesis" and "Inherently Safer Chemistry for Accident Prevention". Click here for more information.
[References]

[1] Ayman El-Faham,  Fernando Albericio. “COMU: A third generation of uronium-type coupling reagents.” Journal of Peptide Science 16 1 (2009): 6–9.
Spectrum DetailBack Directory
[Spectrum Detail]

COMU(1075198-30-9)FT-IR
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