N-BOC-IMIDAZOLE CAS 49761-82-2

Introduction：Basic information about N-BOC-IMIDAZOLE CAS 49761-82-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

N-BOC-IMIDAZOLE Basic information

• Product Name: N-BOC-IMIDAZOLE
• Synonyms: 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester;tert-Butyl 1H-imidazole-1-carboxylate;BOC-IMIDAZOLE;N-Boc-imidazole,98%;1-(TERT-BUTOXYCARBONYL)IMIDAZOLE;N-BOC-IMIDAZOLE;N-T-BOC-IMIDAZOLE;N-TERT-BUTOXYCARBONYLIMIDAZOLE
• CAS: 49761-82-2
• MF: C8H12N2O2
• MW: 168.19
• EINECS: 256-475-1
• Product Categories: Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Protective Reagents (Peptide Synthesis);Biochemistry;Peptide Synthesis;Synthetic Organic Chemistry;Building Blocks;Heterocyclic Building Blocks;Imidazoles;Protection & Derivatization Reagents (for Synthesis)
• Mol File: 49761-82-2.mol

N-BOC-IMIDAZOLE Chemical Properties

• Melting point: 45-47 °C(lit.)
• Boiling point: 147-150 °C(lit.)
• density: 1.1835 (rough estimate)
• refractive index: 1.4200 (estimate)
• Fp: >230 °F
• storage temp.: 2-8°C
• solubility: Soluble in hexane, acetone, and DMF.
• form: powder to crystal
• pka: 3.49±0.10(Predicted)
• color: White to Almost white
• Sensitive: Moisture Sensitive
• BRN: 607792
• InChI: InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3
• InChIKey: MTBKGWHHOBJMHJ-UHFFFAOYSA-N
• SMILES: C1N(C(OC(C)(C)C)=O)C=CN=1
• CAS DataBase Reference: 49761-82-2(CAS DataBase Reference)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HS Code: 2933299090

N-BOC-IMIDAZOLE Usage And Synthesis

Chemical Properties

White powder

Uses

1-Boc-imidazole is used in the preparation of water soluble polyrotaxane, via modification of α-cyclodextrin in the presence of KOH and N,N?-carbonyldiimidazole.

Synthesis Reference(s)

1. (a) Barcelo, G.; Senet, J. P.; Sennyey, G. JOC 1985, 50, 3951. (b) Klee, W.; Brenner, M. HCA 1961, 2151.

General Description

1-(tert-butoxycarbonyl)imidazole is an imidazole derivative. Its gas-phase elimination kinetics study has been studied both theoretically and experimentally.

Synthesis

1-(t-butoxycarbonyl)imidazole can be synthesized by the reaction of imidazole and 1,2,2,2-tetrachloroethyl-t-butyl carbonate or the reaction of t-butanol and N,N′-carbonyldiimidazole in high yield.¹

References

[1] Tetrahedron Letters, 2008, vol. 49, # 16, p. 2527 - 2532
[2] Tetrahedron Letters, 2011, vol. 52, # 12, p. 1260 - 1264
[3] Monatshefte fur Chemie, 2011, vol. 142, # 10, p. 1035 - 1043
[4] RSC Advances, 2014, vol. 4, # 47, p. 24544 - 24550
[5] Tetrahedron Letters, 2017, vol. 58, # 7, p. 629 - 633

N-BOC-IMIDAZOLE Preparation Products And Raw materials

• Raw materials: Imidazole-->Di-tert-butyl dicarbonate-->Guanidine hydrochloride-->Ethanol
• Preparation Products: Medetomidine-->1,9-BIS-BOC-1,5,9-TRIAZANONANE-->4-(Boc-Aminomethyl)piperidine