Benazolin-ethyl

Base Information

• Chemical Name: Benazolin-ethyl
• CAS No.: 25059-80-7
• Molecular Formula: C11H10ClNO3S
• Molecular Weight: 271.724
• Hs Code.: 29342000
• European Community (EC) Number: 246-591-0
• UNII: 0BN7P8Y6GM
• DSSTox Substance ID: DTXSID7041621
• Nikkaji Number: J236.039J
• Wikidata: Q27236578
• ChEMBL ID: CHEMBL3188167
• Mol file: 25059-80-7.mol

Synonyms:4-chloro-2-oxobenzothiazolin-3-ylacetic acid ethyl ester;benazolin-ethyl

Chemical Property of Benazolin-ethyl

Chemical Property:

• Vapor Pressure: 7.16E-07mmHg at 25°C
• Melting Point: 79 °C
• Refractive Index: 1.608
• Boiling Point: 408.1 °C at 760 mmHg
• PKA: -2.57±0.20(Predicted)
• Flash Point: 200.6 °C
• PSA: 76.54000
• Density: 1.418 g/cm³
• LogP: 2.27950
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.0069920
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

95%TC 50%sc 15%ec ^*data from raw suppliers

Benazolin-ethyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O
• Uses: Agricultural chemical.

Technology Process of Benazolin-ethyl

There total 3 articles about Benazolin-ethyl 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:

C11H11Cl2NO3S → 4-chloro-N-(ethoxycarbonylmethyl)-2(3H)-benzothiazolone (25059-80-7)

Guidance literature:

With sulfuric acid; In toluene; Yield given; a) RT, 30 min, b) 20 deg C, 5 h;

DOI:10.1246/bcsj.56.1255

Reference yield:

ethyl 2-((2-chlorophenyl)amino)acetate (2522-00-1) → 4-chloro-N-(ethoxycarbonylmethyl)-2(3H)-benzothiazolone (25059-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethylaniline / toluene / 1 h / 0 °C

2: H₂SO₄ / toluene / a) RT, 30 min, b) 20 deg C, 5 h

With sulfuric acid; N,N-dimethyl-aniline; In toluene;

DOI:10.1246/bcsj.56.1255

Reference yield:

→ 4-chloro-N-(ethoxycarbonylmethyl)-2(3H)-benzothiazolone (25059-80-7)

Guidance literature:

aus 4-Chlor-2-oxobenzthiazolin;

upstream raw materials:

ethyl 2-((2-chlorophenyl)amino)acetate