CAS 49761-82-2

1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester

Description:

1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester, also known by its CAS number 49761-82-2, is an organic compound characterized by its imidazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a carboxylic acid functional group that is esterified with a tert-butyl group, contributing to its stability and solubility in organic solvents. The presence of the imidazole moiety imparts biological significance, as imidazole derivatives are often involved in various biochemical processes, including enzyme catalysis and coordination chemistry. The compound is typically a white to off-white solid and may exhibit moderate to low solubility in water, depending on the pH. Its ester functionality suggests potential applications in organic synthesis and as a building block in pharmaceuticals or agrochemicals. Additionally, the tert-butyl group can enhance lipophilicity, making it useful in drug design. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3

InChI key: InChIKey=MTBKGWHHOBJMHJ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=CN=C1

Synonyms:

• 1,1-Dimethylethyl 1H-imidazole-1-carboxylate
• 1-(tert-Butoxycarbonyl)imidazole
• 1-Boc-imidazole
• 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
• Imidazole-1-carboxylic acid, tert-butyl ester
• N-(tert-Butoxycarbonyl)imidazole
• tert-Butyl imidazole-1-carboxylate
• tert-butyl 1H-imidazole-1-carboxylate

N-tert-Butoxycarbonylimidazole

CAS: 49761-82-2

Formula: C₈H₁₂N₂O₂

Purity: >98.0%(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 168.20

Ref: 3B-B0916

1-Boc-imidazole, 98%

CAS: 49761-82-2

1-Boc-imidazole is used in the preparation of water soluble polyrotaxane, via modification of -cyclodextrin in the presence of KOH and N,N?-carbonyldiimidazole. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label infor

Formula: C₈H₁₂N₂O₂

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder, White

Molecular weight: 168.20

Ref: 02-L00506

N-BOC-IMIDAZOLE

CAS: 49761-82-2

Formula: C₈H₁₂N₂O₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 168.1931

Ref: IN-DA0035CZ

N-Boc-imidazole

CAS: 49761-82-2

N-Boc-imidazole

Purity: 98%

Molecular weight: 168.19g/mol

Ref: 54-OR918828

Medetomidine Impurity 58

CAS: 49761-82-2

Formula: C₈H₁₂N₂O₂

Molecular weight: 168.20

Ref: 4Z-M-6865

tert-Butyl 1H-imidazole-1-carboxylate

CAS: 49761-82-2

Formula: C₈H₁₂N₂O₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 168.196

Ref: 10-F339964