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Merck
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文件

36615

Sigma-Aldrich

二氰基钴啉酸七甲酯

≥95.0%

同義詞:

七甲基二氰基钴啉酸酯

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About This Item

經驗公式（希爾表示法）:
C54H73CoN6O14
CAS號碼:
36522-80-2
分子量：:
1089.12
Beilstein:
1207601
MDL號碼:
MFCD00192013
分類程式碼代碼:
12352100
PubChem物質ID:
329755420
NACRES:
NA.22

化驗

≥95.0%

mp

124-125 °C (dec.)

儲存溫度

2-8°C

SMILES 字串

[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 密鑰

CPBDBBXBECBXRW-NTQATXMTSA-N

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一般說明

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

應用

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.

其他說明

钴啉酸的稳定衍生物；如用作碳骨架重排反应的催化剂；衍生物的偏酯水解反应和制备

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險聲明

H315,H319,H335

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

分析證明 (COA)

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B. Steiger et al.
Chimia, 45, 32-32 (1991)
Y. Murakami et al.
Chemistry Letters (Jpn), 477-477 (1985)
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
B. Gruning et al.
Helvetica Chimica Acta, 68, 1771-1771 (1985)
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