CAS 1075198-30-9 (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate (HCID 75951468)

이름 및 식별자

우선 이름: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
IUPAC: [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium hexafluorophosphate
현지명: 콤
영어명: COMU
분자식: C12H19F6N4O4P
분자량: 428.27

이름 및 동의어

(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

이름 더 보기

콤[[(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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 87.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 516

물리화학적 성질

녹는점: 160 ℃ · ca 160℃
끓는 점: 127 · 127-129 °C
저장 조건: -15 °C · Store at -15°C to -25°C.
용해도: 2 mL의 · 2mL의 DMF 1mmol에 용해됩니다.
물리적 상태: 분말 또는 고체
색상: 흰색에서 연한 노란색
주요 응용: 펩타이드 합성
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2934 99 90
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요COMU 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].

용도COMU – 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

일반 설명This 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".