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667552

Sigma-Aldrich

1-Acetyl-1H-benzotriazole

97%

Synonym(s):

1-Acetylbenzotriazole

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About This Item

Empirical Formula (Hill Notation):
C8H7N3O
CAS Number:
18773-93-8
Molecular Weight:
161.16
MDL number:
MFCD00461288
UNSPSC Code:
12352005
PubChem Substance ID:
329760316
NACRES:
NA.22

Assay

97%

form

solid

reaction suitability

reaction type: C-C Bond Formation

mp

46-50 °C

SMILES string

CC(=O)n1nnc2ccccc12

InChI

1S/C8H7N3O/c1-6(12)11-8-5-3-2-4-7(8)9-10-11/h2-5H,1H3

InChI key

NIIUIBKEGRPPDK-UHFFFAOYSA-N

Application

1-Acetyl-1H-benzotriazole can be used as a reactant for the preparation of:
  • 1-aryl-1H-1,2,3-benzotriazoles by reacting with diaryliodonium salts via C-N activation reaction.[1]
  • N-substituted-2-((1- and 2-benzotriazolyl)methyl)-3-acrylates by treating with Baylis-Hillman acetate in the presence of K2CO3.[2]
  • Thioacids and thioamino acids by thiolysis in presence of sodium hydrosulfide (NaSH) in water.[3]

Reactant for:
  • Preparation of N-acyl imidazolidinones by acylation of imidazolidinone, in the presence of K2CO3
  • Acylation of cellulose in DMSO/tetrabutylammonium fluoride trihydrate

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

667552-VAR:
667552-1G:
667552-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
01102CE

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Catalyst-and organic solvent-free synthesis of thioacids in water
Elagawany M, et al.
Tetrahedron Letters, 60(30), 2018-2021 (2019)
Stereoselective and regioselective synthesis of N-substituted methyl 2-((azolyl) methyl)-3-arylacrylates from Baylis-Hillman acetates
AK OZENC, et al.
Turkish Journal of Chemistry, 41(3), 323-334 (2017)
Cu-catalyzed arylation of 1-acyl-1H-1, 2, 3-Benzotriazoles via C-N activation
Zhang W, et al.
Journal of Organometallic Chemistry, 895, 64-67 (2019)

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