RARECHEM AK HZ 0060

RARECHEM AK HZ 0060 - Names and Identifiers

Name	1,1'-Carbonyldiimidazole
Synonyms	CDI IM2 C O CARBODIIMIDAZOLE AKOS BBS-00004316 CARBONYLDIIMIDAZOLE Carbonyldiimidazole RARECHEM AK HZ 0060 LABOTEST-BB LT00233203 1,1-Carbonyldiimidazole (DIIMIDAZOL-1-YL)KETONE N,N-Carbonyldiimidazole N,N'-Carbonyldiimidazole N,N-Carbonyl Diimidazole 1,1'-Carbonyldiimidazole 1,1-Carbonyl Diimidazole N,N',Carbonyl Diimidazole N,N'-carbonyl diimidazole 1,1'-Carbonyl-BIS-imidazole di-1H-imidazol-2-ylmethanone di-1H-imidazol-1-ylmethanone DI(1H-IMIDAZOL-1-YL)METHANONE
CAS	530-62-1
EINECS	208-488-9
InChI	InChI=1/C7H6N4O/c12-5(6-8-1-2-9-6)7-10-3-4-11-7/h1-4H,(H,8,9)(H,10,11)
InChIKey	PFKFTWBEEFSNDU-UHFFFAOYSA-N

RARECHEM AK HZ 0060 - Physico-chemical Properties

Molecular Formula	C7H6N4O
Molar Mass	162.15
Density	1.303 g/mL at 25 °C
Melting Point	117-122°C(lit.)
Boling Point	288.83°C (rough estimate)
Flash Point	250.8°C
Water Solubility	Insoluble in water
Solubility	Soluble in dimethylformamide (DMF) and water (reacts with water).
Vapor Presure	0.006-0.012Pa at 20-25℃
Appearance	White crystal
Color	White to light cream
Merck	14,1819
BRN	6826
pKa	2.90±0.10(Predicted)
PH	7.7 (50g/l, H2O, 20℃)
Storage Condition	2-8°C
Stability	Stable, but moisture-sensitive. Incompatible with acids, strong oxidizing agents, water.
Sensitive	Moisture Sensitive
Refractive Index	n20/D1.434
MDL	MFCD00005286
Physical and Chemical Properties	Appearance White Crystal melting point 116.0~122.0 ℃
Use	Used as pesticide, pharmaceutical intermediates

RARECHEM AK HZ 0060 - Risk and Safety

Risk Codes	R22 - Harmful if swallowed R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R40 - Limited evidence of a carcinogenic effect R36/38 - Irritating to eyes and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S27 - Take off immediately all contaminated clothing. S36/37 - Wear suitable protective clothing and gloves.
UN IDs	UN 3263 8/PG 2
WGK Germany	2
FLUKA BRAND F CODES	10-21
TSCA	T
HS Code	29332990
Hazard Note	Harmful/Corrosive/Moisture Sensitive
Hazard Class	8
Packing Group	III
Toxicity	LD50 orally in Rabbit: 1071 mg/kg

RARECHEM AK HZ 0060 - Reference

Reference

1. Tao, Xiaojun, et al. "Cholesterol-modified amino-pullulan nanoparticles as a drug carrier: comparative study of cholesterol-modified carboxyethyl pullulan and pullulan nanoparticles." Nanomaterials 6.9 (2016): 165.https://doi.org/10.3390/nano6090165
2. [IF=5.076] Xiaojun Tao et al."Cholesterol-Modified Amino-Pullulan Nanoparticles as a Drug Carrier: Comparative Study of Cholesterol-Modified Carboxyethyl Pullulan and Pullulan Nanoparticles."Nanomaterials-Basel. 2016 Sep;6(9):165
3. [IF=9.381] Yun-Cheng Li et al."Preparation and characterization of feruloylated oat β-glucan with antioxidant activity and colon-targeted delivery."Carbohyd Polym. 2021 Dec;:119002

RARECHEM AK HZ 0060 - Nature

Open Data Verified Data

white or off-white powder, melting point 116-122 °c.

Last Update：2024-01-02 23:10:35

RARECHEM AK HZ 0060 - Preparation Method

Open Data Verified Data

imidazole was reacted with phosgene dissolved in benzene, imidazole hydrochloride in the reactant was filtered off, and the filtrate was concentrated to dryness to obtain N,N-carbonyldiimidazole in a yield of 91%.

Last Update：2022-01-01 10:57:22

RARECHEM AK HZ 0060 - Introduction

Polypeptide reagent, used for biochemical synthesis group protection and protein peptide chain connection. As a condensing agent for the synthesis of triphosphate nucleosides, peptides, and esters; and an important intermediate for the synthesis of acyl imidazole and pyridine amide.

Last Update：2022-10-16 17:25:57

RARECHEM AK HZ 0060 - Use

Open Data Verified Data

as a condensation agent for the synthesis of triphosphonucleosides, peptides and esters; And is an important intermediate for the synthesis of acyl imidazole and pyridoxamide, biochemical synthetic group protection and protein peptide chain connection.

Last Update：2022-01-01 10:57:21

RARECHEM AK HZ 0060 - Safety

Open Data Verified Data

This product should be stored in a cool, ventilated, dry warehouse, away from the fire, heat source, heat, moisture, waterproof, sunscreen, light in the transport, to prevent packaging damage, keep sealed.

Last Update：2022-01-01 10:57:22

RARECHEM AK HZ 0060 - application

Open Data Unverified Data

CDI as activator shows the characteristics of rapidity and simplicity, so it is widely used in organic synthesis and has been reported in biochemical and pharmaceutical fields. If CDI is used as an activator, amphiphilic urea oligomers with good antibacterial properties can be quickly synthesized; hydroxyquinolene derivatives with amide structure that can be self-assembled under solid phase conditions can be synthesized; The heterocyclic organic compounds with urea structure are prepared by cyclization of the monomer itself.
preparation toluene, tri-n-butylamine and imidazole are added into a four-port reaction bottle with stirring, thermometer and airway, heated to 70 ℃, and phosgene is introduced within 20~30min, the reaction temperature is maintained, the reaction is reacted for 1.5h, the reaction is cooled to 20 ℃, and the reaction is 45min. The white crystal precipitate is separated by filtration, washed with toluene and dried under ammonia cleaning to obtain the product.

Uses

In nonlinear optics and polypeptide applications, coupling reagents for the synthesis of dipolar polyamides; also used to prepare β-ketone sulfones and sulfoxides; lead chelating reagents; β-ene amino acid derivatives; reaction reagents for acid activation to imidazoline; used for the synthesis of esters, amines, ketones, etc.; fixing reagents for fixing enzymes or affinity ligands; in the latest application in the synthesis of different heterocyclic compounds, carbonyl conversion reagent

polypeptide reagent is used for biochemical synthesis group protection and protein peptide chain connection. As a condensing agent for the synthesis of triphosphate nucleosides, peptides, and esters; and an important intermediate for the synthesis of acyl imidazole and pyridine amide.

Used in organic synthesis. It can be used to synthesize polypeptides and contains up to 10% imidazole.

Used as pesticide and pharmaceutical intermediate

production method

react imidazole with phosgene dissolved in benzene, filter out imidazole hydrochloride in the reactant, and concentrate the filtrate to dry to obtain 1,1 '-carbonyl diimidazole with a yield of 91%.

Last Update：2024-04-09 19:43:38