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| | N,N'-Diisopropylcarbodiimide Basic information |
| Product Name: | N,N'-Diisopropylcarbodiimide | | Synonyms: | Carbodiimide, diisopropyl-;N,N'-Diisopropylcarbodiimide≥ 99% (Assay);N,N'-Diisopropylcarbodiimide for synthesis;n,n'-methanetetraylbis(2-propanamine);1,3-DIISOPROPLYCARBODIIMIDE;N,N'-DIISOROPYL CARBODIMIDE extrapure;DIC impregnated tablets, ChemDose(R), N,Nμ-Diisopropylcarbodiimide tablets, N,Nμ-Diisopropylcarbodiimide impregnated tablets;N,Nμ-Diisopropylcarbodiimide, ChemDose(R) tablets | | CAS: | 693-13-0 | | MF: | C7H14N2 | | MW: | 126.2 | | EINECS: | 211-743-7 | | Product Categories: | Pharmaceutical intermediates;Aliphatics;Peptide Coupling Reagents;Biochemistry;Condensation & Active Esterification;Coupling Reactions (Peptide Synthesis);straight chain compounds;Amino Acid Derivatives;Peptide Synthesis;Synthetic Organic Chemistry;Peptide;Protected Amino Acids;Intermediates & Fine Chemicals;Pharmaceuticals;bc0001 | | Mol File: | 693-13-0.mol |  |
| | N,N'-Diisopropylcarbodiimide Chemical Properties |
| Melting point | 210-2120C (dec) | | Boiling point | 145-148 °C(lit.) | | density | 0.815 g/mL at 20 °C(lit.) | | vapor pressure | 34.9hPa at 55.46℃ | | refractive index | n20/D 1.433(lit.) | | Fp | 93 °F | | storage temp. | Store below +30°C. | | solubility | Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide andtetrahydrofuran. | | form | Liquid | | color | Clear colorless to yellow | | Sensitive | Moisture Sensitive | | BRN | 878281 | | Henry's Law Constant | 9.9×10-3 mol/(m3Pa) at 25℃, HSDB (2015) | | Stability: | Volatile | | Major Application | peptide synthesis | | InChI | 1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3 | | InChIKey | BDNKZNFMNDZQMI-UHFFFAOYSA-N | | SMILES | CC(C)N=C=NC(C)C | | LogP | 4.11 at 20℃ | | CAS DataBase Reference | 693-13-0(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Propanamine, N,N'-methanetetraylbis-(693-13-0) | | EPA Substance Registry System | 2-Propanamine, N,N'-methanetetraylbis- (693-13-0) |
| | N,N'-Diisopropylcarbodiimide Usage And Synthesis |
| Description | Diisopropylcarbodiimide (DIC) is a clear liquid that can be easily dispensed by volume. It slowly reacts with moisture from the air, so for long term storage the bottle should be flushed with dry air or inert gas and sealed tightly. It is used in peptide chemistry as a coupling reagent. It is very toxic and caused contact dermatitis in a laboratory worker. | | Chemical Properties | N,N'-Diisopropylcarbodiimide is colorless to pale yellow liquid. Insoluble in water, soluble in benzene, ethanol, ether. | | Uses | N,N'-Diisopropylcarbodiimide is used as a reagent in synthetic organic chemistry. It serves as a chemical intermediate and as a stabilizer for Sarin (chemical weapon). It is also used in the synthesis of peptide and nucleic acid. Further, it is used as an antineoplastic and involved in the treatment of malignant melanoma and sarcomas. It is mainly used in amikacin, glutathione dehydrants, as well as in synthesis of acid anhydride, aldehyde, ketone, isocyanate; when it is used as dehydrating condensing agent, it reacts to dicyclohexylurea through short-time reaction under normal temperature. | | Definition | ChEBI: A carbodiimide compound having an isopropyl substituent on both nitrogen atoms. | | General Description | N,N′-Diisopropylcarbodiimide (DIC) is a carbodiimide used as a coupling reagent in the synthesis of amides, peptides, ureas, heterocycles, and unsymmetrical carbodiimides. It is also used in the polymerization reactions as an activator. | | reaction suitability | reaction type: Coupling Reactions | | Contact allergens | It is used in peptide chemistry as a coupling reagent. It
is very toxic and causes contact dermatitis in labora-
tory workers. | | Synthesis | Add N, N'diisopropylthiourea to the autoclave and use xylene as the solvent. The mass ratio of N, N'diisopropylthiourea to xylene solvent is 2:1. Add Sb2O4 catalyst (the amount of the catalyst is 1% of the total material), and oxygen is introduced. The temperature is increased to 115°C under a pressure of 8MPa for 4h, then lowered. Suction filtration at 15°C, decolorization, and vacuum distillation were used to obtain N, N'-Diisopropylcarbodiimide. The yield is 94.55%, and the purity is 99.55%.
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| | N,N'-Diisopropylcarbodiimide Preparation Products And Raw materials |
| Raw materials | Dichloromethane-->Benzene-->LEAD CARBONATE-->MOLECULAR SIEVES PACK 4A-->1,2-DIETHOXYDISULFANE-->N,N'-DIISOPROPYLTHIOUREA | | Preparation Products | 4-(3-TERT-BUTYL-1,2,4-OXADIAZOL-5-YL)PHENYLBORONIC ACID-->3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID-->4-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID-->4-(3-TERT-BUTYL-1,2,4-OXADIAZOL-5-YL)BENZALDEHYDE-->3-TERT-BUTYL-5-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE-->4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID-->2-TERT-BUTYL-1,3-DIISOPROPYLISOUREA-->4,5-Imidazolidinedione, 2,2-dichloro-1,3-bis(1-methylethyl)--->BIS(N N'-DIISOPROPYLACETAMIDINATO)NICKE& |
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