2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide

Base Information

• Chemical Name: 2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide
• CAS No.: 138621-69-9
• Molecular Formula: C12H8F3NO4
• Molecular Weight: 287.19100
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20377640
• ChEMBL ID: CHEMBL1426559
• Mol file: 138621-69-9.mol

Synonyms:138621-69-9;2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide;2,2,2-Trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)-acetamide;2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide;2,2,2-Trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno-[5,6-d][1,3]dioxol-5-yl)acetamide;HMS2711L23;MLS000764005;CHEMBL1426559;SCHEMBL20963317;DTXSID20377640;MFCD03102675;AKOS005069611;SMR000336157;CS-0337471;FT-0680025;11R-0650;J-506763;2,2,2-Trifluoro-N-(7-oxo-6,7-dihydro-2H,5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide;2,2,2-TRIFLUORO-N-{7-OXO-2H,5H,6H,7H-INDENO[5,6-D][1,3]DIOXOL-5-YL}ACETAMIDE

Chemical Property of 2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide

Chemical Property:

• Vapor Pressure: 1.46E-07mmHg at 25°C
• Melting Point: 226-220oC
• Boiling Point: 428.9oC at 760 mmHg
• PKA: 9.72±0.20(Predicted)
• Flash Point: 213.2oC
• PSA: 64.63000
• Density: 1.59g/cm3
• LogP: 2.11220
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 287.04054222
• Heavy Atom Count: 20
• Complexity: 439

Purity/Quality:

98%min ^*data from raw suppliers

2,2,2-Trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno-[5,6-d][1,3]dioxol-5-yl)acetamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC3=C(C=C2C1=O)OCO3)NC(=O)C(F)(F)F

Technology Process of 2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide

There total 4 articles about 2,2,2-trifluoro-N-(7-oxo-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)acetamide 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: 90.0%

(S)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid (129042-60-0,72071-75-1) + trifluoroacetic anhydride (407-25-0) → 5,6-methylenedioxy-3-trifluoroacetylaminoindan-1-one (138621-69-9)

Guidance literature:

With trifluoroacetic acid; for 3h; Heating;

DOI:10.1016/0040-4039(91)80160-8

Reference yield: 80.0%

(S)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid (129042-60-0,72071-75-1) + trifluoroacetic acid (76-05-1) + trifluoroacetic anhydride (407-25-0) → 5,6-methylenedioxy-3-trifluoroacetylaminoindan-1-one (138621-69-9)

Guidance literature:

for 3h; Reflux;

Reference yield:

piperonal (120-57-0,30024-74-9) → 5,6-methylenedioxy-3-trifluoroacetylaminoindan-1-one (138621-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₃COONH₄

2: 90 percent / TFA / 3 h / Heating

With ammonium acetate; trifluoroacetic acid;

DOI:10.1016/0040-4039(91)80160-8

upstream raw materials:

(S)-3-amino-3-(3,4-methylenedioxyphenyl)propionic acid

trifluoroacetic acid

trifluoroacetic anhydride

piperonal

Downstream raw materials:

5,6-methylenedioxy-1-oxoindan-3-ylammonium chloride

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