Skip to Content
Merck
CN
All Photos(1)

Documents

Safety Information

36615

Sigma-Aldrich

Dicyanocobyrinic acid heptamethyl ester

≥95.0%

Synonym(s):

Heptamethyl dicyano cobyrinate

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C54H73CoN6O14
CAS Number:
36522-80-2
Molecular Weight:
1089.12
Beilstein:
1207601
MDL number:
MFCD00192013
UNSPSC Code:
12352100
PubChem Substance ID:
329755420
NACRES:
NA.22

Assay

≥95.0%

mp

124-125 °C (dec.)

storage temp.

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

InChI key

CPBDBBXBECBXRW-NTQATXMTSA-N

Looking for similar products? Visit Product Comparison Guide

General description

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

Application

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.

Other Notes

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

B. Steiger et al.
Chimia, 45, 32-32 (1991)
Y. Murakami et al.
Chemistry Letters (Jpn), 477-477 (1985)
Y. Murakami et al.
Chemistry Letters (Jpn), 469-469 (1988)
Susan M Chemaly et al.
Inorganic chemistry, 50(18), 8700-8718 (2011-08-20)
A stable yellow derivative of cobyrinic acid heptamethyl ester, (5R,6R)-Coα,Coβ-dicyano-5,6-dihydro-5-hydroxy-heptamethylcob(III)yrinate-c,6-lactone (DCSYCbs), was prepared from dicyanocobyrinic acid heptamethyl ester (DCCbs). The C5 carbon is oxidized and the c side chain cyclized to form a lactone at C6; the 13 atom, 14
H H Inhoffen et al.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences, 273(924), 327-333 (1976-02-05)
Preparations of C10 acetate, trifluoroacetate, and chloro derivatives of dicyanocobyrinic acid heptamethyl ester ('cobester') are described. The nature and properties of intermediates in the synthesis of the 10-chloro derivative are discussed, and the electronic absorption spectra of the products are
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service