3457-45-2,MFCD02093689
Catalog No.:AA003KJY

3457-45-2 | 4-acetylbenzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$15.00   $11.00
- +
1g
96%
in stock  
$24.00   $17.00
- +
5g
96%
in stock  
$100.00   $70.00
- +
10g
96%
in stock  
$179.00   $125.00
- +
25g
96%
in stock  
$421.00   $295.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003KJY
Chemical Name:
4-acetylbenzaldehyde
CAS Number:
3457-45-2
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD02093689
SMILES:
O=Cc1ccc(cc1)C(=O)C
Properties
Properties
 
BP:
286.4°C at 760 mmHg  
Form:
Solid  
MP:
33-36 °C(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Upstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,#34,p.5732-5737

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1986,vol.51,p.1427-1431

[2]TetrahedronLetters,2007,vol.48,p.7362-7365

[3]Tetrahedron,2009,vol.65,p.10470-10476

[4]TetrahedronLetters,2012,vol.53,p.5030-5033

[5]Synlett,2004,p.1640-1642

[6]Synthesis,2010,p.1493-1499

[7]OrganicLetters,2015,vol.17,p.704-707

[1]TetrahedronLetters,2006,vol.47,p.5261-5264

[2]Organometallics,2013,vol.32,p.4501-4506

[3]JournalofOrganometallicChemistry,2013,vol.744,p.156-159

[4]GreenChemistry,2017,vol.19,p.3296-3301

[5]Organometallics,2013,vol.32,p.893-897

[6]EuropeanJournalofOrganicChemistry,2017,vol.2017,p.4972-4983

[7]AngewandteChemie-InternationalEdition,2006,vol.45,p.6718-6722

[8]NewJournalofChemistry,2019,vol.43,p.15793-15796

[9]JournalofOrganicChemistry,2014,vol.79,p.9150-9160

[10]AdvancedSynthesisandCatalysis,2016,vol.358,p.1694-1698

[11]Tetrahedron,2018,vol.74,p.4236-4241

[12]Organometallics,2018,vol.37,p.4720-4725

[13]RSCAdvances,2017,vol.7,p.33890-33904

[14]OrientalJournalofChemistry,2014,vol.30,p.1913-1917

[15]Patent:WO2006/108828,2006,A1.Locationinpatent:Page/Pagecolumn27

[16]JournalofOrganicChemistry,2012,vol.77,p.4821-4825

[17]SyntheticCommunications,2014,vol.44,p.280-288

[18]JournalofCatalysis,2019,vol.378,p.283-288

[19]EuropeanJournalofOrganicChemistry,2012,p.6187-6196

[20]SyntheticCommunications,2014,vol.44,p.2051-2056

[21]SyntheticCommunications,2006,vol.36,p.2469-2474

[22]JournalofMedicinalChemistry,2007,vol.50,p.3416-3419

[23]TetrahedronLetters,2016,vol.57,p.3247-3251

[24]Organometallics,2018,vol.37,p.1428-1431

[25]ChemicalCommunications,2018,vol.54,p.11805-11808

[26]OrganicLetters,2019,vol.21,p.401-406

[27]OrganicLetters,2012,vol.14,p.4540-4543

[28]ACSCatalysis,2017,vol.7,p.7371-7377

[29]ACSCatalysis,2019,vol.9,p.874-884

[30]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.675-680

[31]MonatsheftefurChemie,2005,vol.136,p.2041-2043

[32]JournalofMolecularCatalysisB:Enzymatic,2013,vol.90,p.17-22

[33]Organometallics,2015,vol.34,p.1538-1545

[34]TetrahedronLetters,1983,vol.24,p.4287-4290

[35]Synlett,2015,vol.26,p.2037-2041

[36]AppliedOrganometallicChemistry,2020

[37]AdvancedSynthesisandCatalysis,2012,vol.354,p.2613-2618

[38]AdvancedSynthesisandCatalysis,2014,vol.356,p.1093-1097

[39]EuropeanJournalofOrganicChemistry,2012,p.6187-6196

[40]ChemistryLetters,1981,p.1657-1660

[41]Chemistry-AEuropeanJournal,2009,vol.15,p.11833-11836

[42]Chemistry-AEuropeanJournal,2013,vol.19,p.7701-7707

[43]OrganicandBiomolecularChemistry,2014,vol.12,p.5781-5788

[44]AppliedCatalysisA:General,2014,vol.484,p.84-96

[45]ChemCatChem,2015,vol.7,p.907-910

[46]ChemistryLetters,2014,vol.43,p.1829-1831

[47]ChemicalScience,2015,vol.6,p.2027-2034

[48]ACSCatalysis,2018,vol.8,p.1048-1051

[49]DaltonTransactions,2018,vol.47,p.9579-9584

[50]GreenChemistry,2019,vol.21,p.1114-1121

[51]GreenChemistry,2019,vol.21,p.1912-1915

[52]EuropeanJournalofOrganicChemistry,2020,vol.2020,p.552-555

[1]CanadianJournalofChemistry,1990,vol.68,p.720-724

[2]CanadianJournalofChemistry,1990,vol.68,p.720-724

[1]AngewandteChemie-InternationalEdition,2011,vol.50,p.12232-12235

[2]ChemicalandPharmaceuticalBulletin,2013,vol.61,p.1298-1307

[3]OrganicLetters,2010,vol.12,p.5588-5591

[4]BulletinoftheChemicalSocietyofJapan,1984,vol.57,p.2479-2483

[5]ChemistryLetters,1981,p.1657-1660

[6]ChemistryLetters,1981,p.1657-1660

[1]AdvancedSynthesisandCatalysis,2014,vol.356,p.1741-1746

[2]JournalofOrganicChemistry,1996,vol.61,p.7452-7454

[3]TetrahedronLetters,1982,vol.23,p.539-542

[4]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.105-108

[5]ChemicalandPharmaceuticalBulletin,2004,vol.52,p.1009-1012

[6]Synthesis,2018,vol.50,p.1629-1639

[7]JournaloftheAmericanChemicalSociety,2011,vol.133,p.16901-16910

[8]AdvancedSynthesisandCatalysis,2010,vol.352,p.2588-2598

[9]GreenChemistry,2009,vol.11,p.2034-2040

[10]AdvancedSynthesisandCatalysis,2002,vol.344,p.355-369

Literature
Quotation Request
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Additional Info:
SDS
Tags:3457-45-2 Molecular Formula|3457-45-2 MDL|3457-45-2 SMILES|3457-45-2 4-acetylbenzaldehyde
Catalog No.: AA003KJY
3457-45-2,MFCD02093689
3457-45-2 | 4-acetylbenzaldehyde
Pack Size: 250mg
Purity: 96%
in stock
$15.00 $11.00
Pack Size: 1g
Purity: 96%
in stock
$24.00 $17.00
Pack Size: 5g
Purity: 96%
in stock
$100.00 $70.00
Pack Size: 10g
Purity: 96%
in stock
$179.00 $125.00
Pack Size: 25g
Purity: 96%
in stock
$421.00 $295.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003KJY
Chemical Name: 4-acetylbenzaldehyde
CAS Number: 3457-45-2
Molecular Formula: C9H8O2
Molecular Weight: 148.1586
MDL Number: MFCD02093689
SMILES: O=Cc1ccc(cc1)C(=O)C
Properties
BP: 286.4°C at 760 mmHg  
Form: Solid  
MP: 33-36 °C(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 155  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Upstream Synthesis Route
3457-45-2    31729-70-1    937-30-4 

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,#34,p.5732-5737

Downstream Synthesis Route
109-80-8    3457-45-2    101033-06-1 

[1]JournalofOrganicChemistry,1986,vol.51,p.1427-1431

[2]TetrahedronLetters,2007,vol.48,p.7362-7365

[3]Tetrahedron,2009,vol.65,p.10470-10476

[4]TetrahedronLetters,2012,vol.53,p.5030-5033

[5]Synlett,2004,p.1640-1642

[6]Synthesis,2010,p.1493-1499

[7]OrganicLetters,2015,vol.17,p.704-707

3457-45-2    75633-63-5 

[1]TetrahedronLetters,2006,vol.47,p.5261-5264

[2]Organometallics,2013,vol.32,p.4501-4506

[3]JournalofOrganometallicChemistry,2013,vol.744,p.156-159

[4]GreenChemistry,2017,vol.19,p.3296-3301

[5]Organometallics,2013,vol.32,p.893-897

[6]EuropeanJournalofOrganicChemistry,2017,vol.2017,p.4972-4983

[7]AngewandteChemie-InternationalEdition,2006,vol.45,p.6718-6722

[8]NewJournalofChemistry,2019,vol.43,p.15793-15796

[9]JournalofOrganicChemistry,2014,vol.79,p.9150-9160

[10]AdvancedSynthesisandCatalysis,2016,vol.358,p.1694-1698

[11]Tetrahedron,2018,vol.74,p.4236-4241

[12]Organometallics,2018,vol.37,p.4720-4725

[13]RSCAdvances,2017,vol.7,p.33890-33904

[14]OrientalJournalofChemistry,2014,vol.30,p.1913-1917

[15]Patent:WO2006/108828,2006,A1.Locationinpatent:Page/Pagecolumn27

[16]JournalofOrganicChemistry,2012,vol.77,p.4821-4825

[17]SyntheticCommunications,2014,vol.44,p.280-288

[18]JournalofCatalysis,2019,vol.378,p.283-288

[19]EuropeanJournalofOrganicChemistry,2012,p.6187-6196

[20]SyntheticCommunications,2014,vol.44,p.2051-2056

[21]SyntheticCommunications,2006,vol.36,p.2469-2474

[22]JournalofMedicinalChemistry,2007,vol.50,p.3416-3419

[23]TetrahedronLetters,2016,vol.57,p.3247-3251

[24]Organometallics,2018,vol.37,p.1428-1431

[25]ChemicalCommunications,2018,vol.54,p.11805-11808

[26]OrganicLetters,2019,vol.21,p.401-406

[27]OrganicLetters,2012,vol.14,p.4540-4543

[28]ACSCatalysis,2017,vol.7,p.7371-7377

[29]ACSCatalysis,2019,vol.9,p.874-884

[30]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.675-680

[31]MonatsheftefurChemie,2005,vol.136,p.2041-2043

[32]JournalofMolecularCatalysisB:Enzymatic,2013,vol.90,p.17-22

[33]Organometallics,2015,vol.34,p.1538-1545

[34]TetrahedronLetters,1983,vol.24,p.4287-4290

[35]Synlett,2015,vol.26,p.2037-2041

[36]AppliedOrganometallicChemistry,2020

[37]AdvancedSynthesisandCatalysis,2012,vol.354,p.2613-2618

[38]AdvancedSynthesisandCatalysis,2014,vol.356,p.1093-1097

[39]EuropeanJournalofOrganicChemistry,2012,p.6187-6196

[40]ChemistryLetters,1981,p.1657-1660

[41]Chemistry-AEuropeanJournal,2009,vol.15,p.11833-11836

[42]Chemistry-AEuropeanJournal,2013,vol.19,p.7701-7707

[43]OrganicandBiomolecularChemistry,2014,vol.12,p.5781-5788

[44]AppliedCatalysisA:General,2014,vol.484,p.84-96

[45]ChemCatChem,2015,vol.7,p.907-910

[46]ChemistryLetters,2014,vol.43,p.1829-1831

[47]ChemicalScience,2015,vol.6,p.2027-2034

[48]ACSCatalysis,2018,vol.8,p.1048-1051

[49]DaltonTransactions,2018,vol.47,p.9579-9584

[50]GreenChemistry,2019,vol.21,p.1114-1121

[51]GreenChemistry,2019,vol.21,p.1912-1915

[52]EuropeanJournalofOrganicChemistry,2020,vol.2020,p.552-555

3457-45-2    75633-63-5    80463-22-5    80463-21-4 

[1]CanadianJournalofChemistry,1990,vol.68,p.720-724

[2]CanadianJournalofChemistry,1990,vol.68,p.720-724

3457-45-2    80463-21-4 

[1]AngewandteChemie-InternationalEdition,2011,vol.50,p.12232-12235

[2]ChemicalandPharmaceuticalBulletin,2013,vol.61,p.1298-1307

[3]OrganicLetters,2010,vol.12,p.5588-5591

[4]BulletinoftheChemicalSocietyofJapan,1984,vol.57,p.2479-2483

[5]ChemistryLetters,1981,p.1657-1660

[6]ChemistryLetters,1981,p.1657-1660

80463-22-5    3457-45-2    75633-63-5    80463-21-4 

[1]AdvancedSynthesisandCatalysis,2014,vol.356,p.1741-1746

[2]JournalofOrganicChemistry,1996,vol.61,p.7452-7454

[3]TetrahedronLetters,1982,vol.23,p.539-542

[4]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.105-108

[5]ChemicalandPharmaceuticalBulletin,2004,vol.52,p.1009-1012

[6]Synthesis,2018,vol.50,p.1629-1639

[7]JournaloftheAmericanChemicalSociety,2011,vol.133,p.16901-16910

[8]AdvancedSynthesisandCatalysis,2010,vol.352,p.2588-2598

[9]GreenChemistry,2009,vol.11,p.2034-2040

[10]AdvancedSynthesisandCatalysis,2002,vol.344,p.355-369

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