36615

Dicyanocobyrinsäure-heptamethylester

≥95.0%

• Synonym(e): Heptamethyl-dicyanocobyrinat
• Empirische Formel (Hill-System): C₅₄H₇₃CoN₆O₁₄
• CAS-Nummer: 36522-80-2
• Molekulargewicht: 1089.12
• Beilstein: 1207601
• MDL-Nummer: MFCD00192013
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 329755420
• NACRES: NA.22

Eigenschaften

• Assay: ≥95.0%
• mp (Schmelzpunkt): 124-125 °C (dec.)
• Lagertemp.: 2-8°C
• SMILES String: [H][C@]12[C@H](CC(=O)OC)[C@@](C)(CCC(=O)OC)C(N1[Co](C#N)C#N)=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(=O)OC)[C@@H]5CCC(=O)OC)[C@@](C)(CC(=O)OC)[C@@H]4CCC(=O)OC)C(C)(C)[C@@H]3CCC(=O)OC
• InChI: 1S/C52H73N4O14.2CN.Co/c1-28-43-31(17-20-37(58)65-10)48(3,4)35(54-43)25-34-30(16-19-36(57)64-9)50(6,26-41(62)69-14)46(53-34)29(2)44-32(18-21-38(59)66-11)51(7,27-42(63)70-15)52(8,56-44)47-33(24-40(61)68-13)49(5,45(28)55-47)23-22-39(60)67-12;2*1-2;/h25,30-33,47H,16-24,26-27H2,1-15H3;;;/q-1;;;+1/t30-,31-,32-,33+,47-,49-,50+,51+,52+;;;/m1.../s1
• InChIKey: CPBDBBXBECBXRW-NTQATXMTSA-N

Beschreibung

Allgemeine Beschreibung

Preparation of chloro derivatives of dicyanocobyrinic acid heptamethyl ester (′cobester′) is reported.

Anwendung

Dicyanocobyrinic acid heptamethyl ester may be used in the preparation of (5R,6R)-Coa,Coβ-dicyano-5,6-dihydro-5-hydroxy-heptamethylcob(III)yrinate-c,6-lactone, a derivative of cobyrinic acid heptamethyl ester.

Sonstige Hinweise

Stable derivative of cobyrinic acid; used e.g. as catalyst for carbon-skeleton rearrangements ; Partial ester hydrolysis and prepn. of derivatives

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves