Catalog No.:AA005K5H

720-94-5 | 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

Name: Name:1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
Brand: AABLOCKS
SKU: AA005K5H
Availability: InStock
Rating: 90 (10 reviews)

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Quantity

97%

in stock

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10g

97%

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$13.00 $9.00

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25g

97%

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$31.00 $22.00

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100g

97%

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$95.00 $67.00

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500g

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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature
Request for Quotation
Download SDS

Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA005K5H

Chemical Name:

1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

CAS Number:

720-94-5

Molecular Formula:

C11H9F3O2

Molecular Weight:

230.1832

MDL Number:

MFCD00517909

SMILES:

O=C(c1ccc(cc1)C)CC(=O)C(F)(F)F

Properties

BP:

269.9°C at 760 mmHg

Form:

Solid

MP:

44-46 °C

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

275

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

2.9

Upstream Synthesis Route

383-63-1

122-00-9

720-94-5

[1]Patent:CN103951549,2016,B,.Locationinpatent:Paragraph0008;0027-0028

[2]Patent:CN107759519,2018,A,.Locationinpatent:Paragraph0033-0035

[3]JournalofMedicinalChemistry,2007,vol.50,#18,p.4444-4452

[4]JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365

[5]Patent:WO2005/49014,2005,A1,.Locationinpatent:Page/Pagecolumn137

[6]Patent:WO2005/20895,2005,A2,.Locationinpatent:Page/Pagecolumn90-91

[7]Patent:WO2005/21004,2005,A1,.Locationinpatent:Page/Pagecolumn57

[8]Patent:WO2005/41864,2005,A2,.Locationinpatent:Page/Pagecolumn143

[9]Patent:WO2005/41879,2005,A2,.Locationinpatent:Page/Pagecolumn164

[10]Patent:WO2005/44194,2005,A2,.Locationinpatent:Page/Pagecolumn161-162

[11]Patent:WO2005/39565,2005,A1,.Locationinpatent:Page/Pagecolumn45

[12]Patent:US2005/14729,2005,A1,.Locationinpatent:Page64

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[14]Patent:WO2005/84654,2005,A2,.Locationinpatent:Page/Pagecolumn183-184

[15]BioorganicandMedicinalChemistryLetters,2004,vol.14,#2,p.499-504

[16]Patent:CN104974135,2017,B,.Locationinpatent:Paragraph0112

[17]ACSMedicinalChemistryLetters,2013,vol.4,#5,p.451-455

[18]Patent:WO2014/12074,2014,A2,.Locationinpatent:Paragraph00207;00208

[19]Patent:CN107445896,2017,A,.Locationinpatent:Paragraph0049;0050;0051

[20]Patent:WO2012/143522,2012,A1,.Locationinpatent:Page/Pagecolumn27-28

[21]Patent:US2014/38989,2014,A1,.Locationinpatent:Paragraph0255

[22]Synthesis,1997,#11,p.1321-1324

[23]Tetrahedron,2009,vol.65,#10,p.2124-2135

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[38]JournalofMedicinalChemistry,2008,vol.51,#1,p.142-147

[39]RussianJournalofGeneralChemistry,2007,vol.77,#10,p.1732-1741

[40]Patent:WO2005/25510,2005,A2,.Locationinpatent:Page/Pagecolumn81

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[42]Patent:WO2010/95024,2010,A2,.Locationinpatent:Page/Pagecolumn8-9

[43]EuropeanJournalofMedicinalChemistry,2011,vol.46,#9,p.4760-4767

[44]BioorganicandMedicinalChemistry,2012,vol.20,#15,p.4653-4660

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[52]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.545-551

[53]BioorganicandMedicinalChemistry,2018,vol.26,#12,p.3406-3413

122-00-9

76-05-1

720-94-5

[1]TetrahedronLetters,2013,vol.54,#49,p.6682-6686

[2]Patent:WO2007/12906,2007,A1,.Locationinpatent:Page/Pagecolumn15

354-31-4

122-00-9

720-94-5

[1]Patent:CN106892806,2017,A,.Locationinpatent:Paragraph0027;0028

354-34-7

122-00-9

720-94-5

[1]Patent:CN106892806,2017,A,.Locationinpatent:Paragraph0029;0030

354-32-5

122-00-9

720-94-5

[1]Patent:CN106892806,2017,A,.Locationinpatent:Paragraph0031;0032;0033;0034;0035;0036;0037;0038

Downstream Synthesis Route

720-94-5

(Z)-3-Chloro-4,4,4-trifluoro-1-p-tolyl-but-2-en-1-one

(E)-4-Chloro-1,1,1-trifluoro-4-p-tolyl-but-3-en-2-one

(Z)-4-Chloro-1,1,1-trifluoro-4-p-tolyl-but-3-en-2-one

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1986,vol.35,p.1937-1940 IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1986,p.2125-2127

720-94-5

2863-98-1

4-5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-ylbenzonitrile

[1]BioorganicandMedicinalChemistry,2013,vol.21,p.4581-4590

[2]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.4483-4487

945224-59-9

720-94-5

C26H14F6N4

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3445-3453

945224-60-2

720-94-5

C26H14F6N4

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3445-3453

720-94-5

57412-05-2

C19H15F3N2O2

[1]JournalofMedicinalChemistry,2007,vol.50,p.4444-4452

Literature

Title: Liquid-chromatographic separation and determination of process-related impurities, including a regio-specific isomer of celecoxib on reversed-phase C18 column dynamically coated with hexamethyldisilazane.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20060901

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