2,4,5-Trifluoro-3-methoxybenzamide

Base Information

• Chemical Name: 2,4,5-Trifluoro-3-methoxybenzamide
• CAS No.: 112811-64-0
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.136
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID70379492
• Wikidata: Q82169332
• Mol file: 112811-64-0.mol

Synonyms:2,4,5-trifluoro-3-methoxybenzamide;112811-64-0;3-Methoxy-2,4,5-trifluorobenzamide;SCHEMBL3337229;DTXSID70379492;VRGBBPYUJDPXBB-UHFFFAOYSA-N;RKL10171;MFCD03094443;AKOS025117101

Chemical Property of 2,4,5-Trifluoro-3-methoxybenzamide

Chemical Property:

• Melting Point: 130-133 °C
• Boiling Point: 176.3±40.0 °C(Predicted)
• PKA: 14.46±0.50(Predicted)
• PSA: 53.31000
• Density: 1.416±0.06 g/cm3(Predicted)
• LogP: 2.09560
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.03506292
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99.90% ^*data from raw suppliers

2,4,5-Trifluoro-3-methoxybenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1F)F)C(=O)N)F

Technology Process of 2,4,5-Trifluoro-3-methoxybenzamide

There total 5 articles about 2,4,5-Trifluoro-3-methoxybenzamide 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: 100.0%

3-methoxy-2,4,5-trifluorobenzoic acid (112811-65-1) → 2,4,5-trifluoro-3-methoxy-benzamide (112811-64-0)

Guidance literature:

3-methoxy-2,4,5-trifluorobenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1.5h;

With ammonia; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1002/jhet.5570420428

Reference yield:

2,4,5-trifluoro-3-methoxybenzoyl chloride (112811-66-2) → 2,4,5-trifluoro-3-methoxy-benzamide (112811-64-0)

Guidance literature:

With ammonia; In tetrahydrofuran; at -50 - 20 ℃; for 1.16667h;

DOI:10.1021/op7000639

Reference yield:

3-methoxy-2,4,5-trifluorobenzonitrile (112811-63-9) → 2,4,5-trifluoro-3-methoxy-benzamide (112811-64-0)

Guidance literature:

With sulfuric acid; In water;

upstream raw materials:

3-methoxy-2,4,5-trifluorobenzoic acid

3-methoxy-2,4,5-trifluorobenzonitrile

2,4,5-trifluoro-3-methoxybenzoyl chloride

1-bromo-3-methoxy-2,4,5-trifluorobenzene

Downstream raw materials:

diethyl 3-methoxy-2,4,5-trifluorobenzoylmalonate

ethyl 3-(cyclopropylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate

1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-amino-1-pyrrolidinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

5-amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Refernces

• 1、 Beylin, Vladimir,Boyles, David C.,Curran, Timothy T.,Macikenas, Dainius,Parlett IV, Roger V.,Vrieze, Derek. "The preparation of two, preclinical amino-quinazolinediones as antibacterial agents". . p. 441 - 449. Retrieved 2012/12/31.
• 2、 Tran, Tuan P.,Ellsworth, Edmund L.,Watson, Brian M.,Sanchez, Joseph P.,Showalter, H. D. Hollis,Rubin, John R.,Stier, Michael A.,Yip, Judy,Nguyen, Dai Q.,Bird, Paul,Singh, Rajeshwar. "A facile synthesis of substituted 3-amino-1H-quinazoline-2,4-diones". . p. 669 - 674. Retrieved 2007/10/03.