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Merck

115533

CDI

greener alternative

≥90.0% (proton, NMR), for peptide synthesis

Synonym(s):

1,1′-Carbonyldiimidazole

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About This Item

Empirical Formula (Hill Notation):
C7H6N4O
CAS Number:
530-62-1
Molecular Weight:
162.15
NACRES:
NA.22
PubChem Substance ID:
24847221
UNSPSC Code:
12352115
EC Number:
208-488-9
MDL number:
MFCD00005286
Beilstein/REAXYS Number:
6826

Key Documents

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Product Name

CDI, reagent grade

InChI key

PFKFTWBEEFSNDU-UHFFFAOYSA-N

InChI

1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

SMILES string

O=C(n1ccnc1)n2ccnc2

grade

reagent grade

assay

≥90.0% (proton, NMR)

form

solid

reaction suitability

reaction type: Carbonylations

greener alternative product characteristics

Designing Safer Chemicals
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

mp

117-122 °C (lit.)

application(s)

peptide synthesis

greener alternative category

Aligned,

Quality Level

200

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. 1,1′-carbonyldiimidazole (CDI) is an alternative to highly toxic insidious poison phosgene and thus aligns with the principle "Designing Safer Chemicals". For more information see the article Controlled Synthesis of Asymmetric Dialkyl and Cyclic Carbonates Using the Highly Selective Reactions of Imidazole Carboxylic Esters.

Application

Coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. Also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

288-32-4

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN6805
BCCN6804
BCCN5894
BCCK3848
BCCJ4299

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Polym. Mater. Sci. Eng., 61, 936-936 (1989)
Inorganic Chemistry, 32, 3052-3052 (1993)
Tetrahedron Letters, 34, 725-725 (1993)
The Journal of Organic Chemistry, 54, 5620-5620 (1989)
A B Cheikh et al.
Journal of molecular evolution, 30(4), 315-321 (1990-04-01)
We have prepared the nucleoamino acids 1-(3'-amino,3'-carboxypropyl)uracil (3) and 9-(3'-amino,3'-carboxypropyl)adenine (4) as (L)-enantiomers and as racemic mixtures. When 3 or 4 is suspended in water and treated with N,N'-carbonyldiimidazole, peptides are formed in good yield. The products formed from the
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