BENZOTRIAZOL-1-YL-ACETIC ACID

Base Information

• Chemical Name: BENZOTRIAZOL-1-YL-ACETIC ACID
• CAS No.: 4144-64-3
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.162
• Hs Code.: 2933990090
• Mol file: 4144-64-3.mol

Synonyms:1-Benzotriazolylaceticacid;2-(1H-1,2,3-Benzotriazol-1-yl)acetic acid;Benzotriazole-1-acetic acid;NSC 227393;

Chemical Property of BENZOTRIAZOL-1-YL-ACETIC ACID

Chemical Property:

• Vapor Pressure: 4.65E-08mmHg at 25°C
• Refractive Index: 1.701
• Boiling Point: 427.2 °C at 760 mmHg
• Flash Point: 212.2 °C
• PSA: 68.01000
• Density: 1.48 g/cm³
• LogP: 0.51590
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Very Slightly)

Purity/Quality:

97% ^*data from raw suppliers

Benzotriazol-1-ylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Uses: Benzotriazol-1-ylacetic Acid is used as a reagent in the synthesis of benzotriazole imidazoline compounds which are used as metal corrosion inhibitors. Benzotriazol-1-ylacetic Acid is also a reagent in the synthesis of N-(benzo[1,2,3]triazol-1-yl)-N-((benzyl)acetamido)phenyl carboxamides which are used as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors.

Technology Process of BENZOTRIAZOL-1-YL-ACETIC ACID

There total 13 articles about BENZOTRIAZOL-1-YL-ACETIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

benzotriazol-1-ylacetic acid tert-butyl ester (1137060-81-1) → 2-(1H-1,2,3-benzotriazol-1-yl)acetic acid (4144-64-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 8h;

Reference yield: 96.0%

Methyl 2-(1H-benzo-1,2,3-triazol-1-yl)acetate → 2-(1H-1,2,3-benzotriazol-1-yl)acetic acid (4144-64-3)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 1h;

DOI:10.1002/adsc.201600141

Reference yield: 95.0%

ethyl (1H-benzotriazol-1-yl)acetate (69218-46-8) → 2-(1H-1,2,3-benzotriazol-1-yl)acetic acid (4144-64-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 2h; Heating;

DOI:10.1016/S0040-4020(01)80550-0

upstream raw materials:

1-methyl-1H-benzo[d][1,2,3]triazole

carbon dioxide

ethyl (1H-benzotriazol-1-yl)acetate

1,2,3-Benzotriazole

Downstream raw materials:

1-benzotriazoleacetyl chloride

methylammonium carbonate

1H,1H'-2,2'-Biindolylidene-3,3'-dione

(2-acetyl)phenol 2-(1-benzotriazolyl)acetate