Indanofan

Base Information

• Chemical Name: Indanofan
• CAS No.: 133220-30-1
• Molecular Formula: C20H17 Cl O3
• Molecular Weight: 340.806
• European Community (EC) Number: 603-720-9
• UNII: Z5WQ384U76
• DSSTox Substance ID: DTXSID1057957
• Nikkaji Number: J1.133.881J
• Wikidata: Q27155597
• ChEMBL ID: CHEMBL2268692
• Mol file: 133220-30-1.mol

Synonyms:2-(2-(3-chlorophenyl)oxiran-2-ylmethyl)-2-ethylindan-1,3-dione;indanofan

Chemical Property of Indanofan

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 60.4-61.3°
• Boiling Point: 505.5°Cat760mmHg
• Flash Point: 194.6°C
• PSA: 46.67000
• Density: 1.31g/cm³
• LogP: 4.64560
• Storage Temp.: 0-6°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 340.0866221
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

99%, ^*data from raw suppliers

INDANOFAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)C2=CC=CC=C2C1=O)CC3(CO3)C4=CC(=CC=C4)Cl
• Uses: Herbicide.

Technology Process of Indanofan

There total 10 articles about Indanofan 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: 85.0%

2-<2-(3-chlorophenyl)prop-2-enyl>-2-ethylindane-1,3-dione (133220-63-0) → 2-[2-(3-chloro-phenyl)-oxiranylmethyl]-2-ethyl-1H-indene-1,3(2H)-dione (133220-30-1)

Guidance literature:

With peracetic acid; sodium acetate; In toluene; at 70 ℃; for 4h;

DOI:10.1055/s-1999-3381

Reference yield:

Diethyl phthalate (84-66-2) → 2-[2-(3-chloro-phenyl)-oxiranylmethyl]-2-ethyl-1H-indene-1,3(2H)-dione (133220-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / NaH / dibutyl ether / 6 h / Heating

2: K₂CO₃, KI / acetone / 2 h / Heating

3: 85 percent / AcOOH, AcONA*3H₂O / toluene / 4 h / 70 °C

With peracetic acid; sodium acetate; sodium hydride; potassium carbonate; potassium iodide; In dibutyl ether; acetone; toluene;

DOI:10.1055/s-1999-3381

Reference yield:

2-(3-chlorophenyl)prop-2-en-1-ol (157563-52-5) → 2-[2-(3-chloro-phenyl)-oxiranylmethyl]-2-ethyl-1H-indene-1,3(2H)-dione (133220-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂, DMF / toluene / 2 h / 70 °C

2: K₂CO₃, KI / acetone / 2 h / Heating

3: 85 percent / AcOOH, AcONA*3H₂O / toluene / 4 h / 70 °C

With peracetic acid; thionyl chloride; sodium acetate; potassium carbonate; N,N-dimethyl-formamide; potassium iodide; In acetone; toluene;

DOI:10.1055/s-1999-3381

upstream raw materials:

2-<2-(3-chlorophenyl)prop-2-enyl>-2-ethylindane-1,3-dione

2-ethylindane-1,3-dione

Diethyl phthalate

2-(3-chlorophenyl)prop-2-en-1-ol

Refernces

• 1、 -. "Method for preparing indanofan". Paragraph 0035; 0048; 0049; 0051; 0060-0063; 0072; 0073. . Retrieved 2018/09/21.
• 2、 -. "METHOD FOR PRODUCING EPOXY COMPOUND". Paragraph 0122. . Retrieved 2016/12/16.