N-Boc-imidazole

• CAS: 49761-82-2
• Catalog Number: ACM49761822
• Category: Other Products; Imidazoles
• Molecular Weight: 168.19
• Molecular Formula: C₈H₁₂N₂O₂
• Synonyms: N-tert-Butoxycarbonylimidazole, 424013_ALDRICH, 1-(tert-Butoxycarbonyl)imidazole, EINECS 256-475-1, CID521262, ZINC00155862, tert-Butyl 1H-imidazole-1-carboxylate, 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester, InChI=1/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H, 49761-82-2
• IUPAC Name: tert-butyl imidazole-1-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)N1C=CN=C1
• InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N
• Boiling Point: 147-150ºC(lit.)
• Melting Point: 45-47ºC(lit.)
• Flash Point: >230 °F
• Density: 1.08g/cm³
• Appearance: White powder
• EC Number: 256-475-1
• Exact Mass: 168.09000
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: S26-S36
• WGK Germany: 3

Custom Reviews

June 16, 2023

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Multiple selectivity
On this buying platform, there are many kinds of compounds besides N-boc-imidazole.

Custom Q&A

What is the PubChem CID of N-Boc-Imidazole?

PubChem CID 521262.

What is the molecular formula of N-Boc-Imidazole?

The molecular formula is C8H12N2O2.

What is the molecular weight of N-Boc-Imidazole?

The molecular weight is 168.19 g/mol.

What is the IUPAC name of N-Boc-Imidazole?

The IUPAC name is tert-butyl imidazole-1-carboxylate.

What is the InChI of N-Boc-Imidazole?

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

What is the InChIKey of N-Boc-Imidazole?

The InChIKey is MTBKGWHHOBJMHJ-UHFFFAOYSA-N.

What is the canonical SMILES of N-Boc-Imidazole?

The canonical SMILES is CC(C)(C)OC(=O)N1C=CN=C1.

What is the CAS number of N-Boc-Imidazole?

The CAS number is 49761-82-2.

What is the XLogP3 value of N-Boc-Imidazole?

The XLogP3 value is 1.

Is N-Boc-Imidazole a canonicalized compound?

Yes, N-Boc-Imidazole is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 288-32-4
• 24424-99-5

• 49761-82-2

Reference: [1] Tetrahedron Letters, 2008, vol. 49, # 16, p. 2527 - 2532

Upstream Synthesis Route 2

• 530-62-1
• 75-65-0

• 49761-82-2

Reference: [1] Tetrahedron Asymmetry, 2005, vol. 16, # 2, p. 297 - 301

Upstream Synthesis Route 3

• 288-32-4
• 98015-52-2

• 49761-82-2

Reference: [1] Synthesis, 1986, # 8, p. 627 - 632
[2] Journal of Organic Chemistry, 1985, vol. 50, # 20, p. 3951 - 3953
[3] Patent: US4725680, 1988, A,

Upstream Synthesis Route 4

• 288-32-4
• 98015-51-1

• 49761-82-2

Reference: [1]Synthesis,1986,p. 627 - 632

Upstream Synthesis Route 5

• 288-32-4
• 98015-52-2

• 49761-82-2

Reference: [1]Synthesis,1986,p. 627 - 632
[2]Journal of Organic Chemistry,1985,vol. 50,p. 3951 - 3953
[3]Patent: US4725680,1988,A

Downstream Synthesis Route 1

• 64-17-5
• 49761-82-2

• 27945-07-9

Reference: [1]Chemische Berichte,1962,vol. 95,p. 1284 - 1297

* For details of the synthesis route, please refer to the original source to ensure accuracy.