1-(TERT-BUTOXYCARBONYL)IMIDAZOLE

1-(TERT-BUTOXYCARBONYL)IMIDAZOLE - Names and Identifiers

Name	N-Boc-imidazole
Synonyms	BOC-IMIDAZOLE N-Boc-imidazole N-BOC-IMIDAZOLE N-T-BOC-IMIDAZOLE N-TERT-BUTOXYCARBONYLIMIDAZOLE 1-(TERT-BUTOXYCARBONYL)IMIDAZOLE N-(tert-Butoxycarbonyl)imidazole tert-Butyl 1H-imidazole-1-carboxylate tert-butyl 1H-imidazole-1-carboxylate 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS	49761-82-2
EINECS	256-475-1
InChI	InChI=1/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3
InChIKey	MTBKGWHHOBJMHJ-UHFFFAOYSA-N

1-(TERT-BUTOXYCARBONYL)IMIDAZOLE - Physico-chemical Properties

Molecular Formula	C8H12N2O2
Molar Mass	168.19
Density	1.1835 (rough estimate)
Melting Point	45-47°C(lit.)
Boling Point	147-150°C(lit.)
Flash Point	>230°F
Solubility	Soluble in hexane, acetone, and DMF.
Vapor Presure	0.0257mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
BRN	607792
pKa	3.49±0.10(Predicted)
Storage Condition	2-8°C
Sensitive	Moisture Sensitive
Refractive Index	1.4200 (estimate)
MDL	MFCD00014497

1-(TERT-BUTOXYCARBONYL)IMIDAZOLE - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3

1-(TERT-BUTOXYCARBONYL)IMIDAZOLE - Introduction

N-Boc-imidazole(N-Boc-imidazole) is an imidazole compound with the following properties:

1. Appearance: colorless to light yellow crystal or solid.
2. solubility: soluble in some common organic solvents, such as ethanol, dimethylformamide and dichloromethane.
3. melting point: about 68-72 degrees Celsius.

N-Boc-imidazole have many applications:

1. Organic synthesis: As a derivative of imidazole, N-Boc-imidazole can be used as a catalyst, reagent or intermediate in organic synthesis reactions. It can participate in many reactions, such as alkylation reaction, nucleophilic substitution reaction, etc.
2. Drug development: N-Boc-imidazole can be used for the synthesis of drug intermediates, such as anti-cancer drugs, antiviral drugs and biologically active molecules.

The N-Boc-imidazole can be prepared by the following methods:

N-benzylimidazole is reacted with di-tert-butylchlorosilane (di-tert-butylchlorosilane) to generate hydrochloride of N-Boc-imidazole and triphenylphosphine (triphenylphosphine).

When using the N-Boc-imidazole, you need to pay attention to the following safety information:

1. Need to use in a well-ventilated laboratory environment, and take appropriate personal protective measures, such as wearing chemical protective glasses and gloves.
2. avoid contact with skin and eyes, avoid inhaling its dust or steam.
3. storage should be sealed in a dry, cool place, away from oxidants and open flames.

In any chemical operation, always follow laboratory safety regulations and take appropriate precautions.

Last Update：2024-04-09 21:21:28