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7163-50-0,MFCD00961859
Catalog No.:AA005RCO

7163-50-0 | (4-Methylphenyl)(oxo)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
tech
in stock  
$72.00   $50.00
- +
1g
96%
in stock  
$107.00   $75.00
- +
5g
96%
in stock  
$297.00   $208.00
- +
10g
96%
in stock  
$456.00   $319.00
- +
25g
96%
in stock  
$774.00   $542.00
- +
100g
96%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005RCO
Chemical Name:
(4-Methylphenyl)(oxo)acetic acid
CAS Number:
7163-50-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00961859
SMILES:
O=C(c1ccc(cc1)C)C(=O)O
Properties
Properties
 
BP:
290.6 °C at 760 mmHg  
Form:
Solid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,1997,vol.5,p.1555-1567

[2]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16237-16242

[3]JournalofOrganicChemistryUSSR(EnglishTranslation),1966,vol.2,p.14-15    ZhurnalOrganicheskoiKhimii,1966,vol.2,p.17-19

[4]JournalofMedicinalChemistry,1981,vol.24,p.399-404

[5]JournaloftheAmericanChemicalSociety,1995,vol.117,p.3999-4013

[6]Patent:EP1486483,2004,A1.Locationinpatent:Page29

[7]Patent:EP1541557,2005,A1.Locationinpatent:Page/Pagecolumn49

[8]CatalysisToday,2012,vol.198,p.345-352

[9]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2013,vol.52,p.818-823

[10]ChemicalCommunications,2014,vol.50,p.4489-4491

[11]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.1958-1962

[12]BeilsteinJournalofOrganicChemistry,2018,vol.14,p.1215-1221

[13]Chemistry-AEuropeanJournal,2018,vol.24,p.8114-8125

[14]OrganicLetters,2019,vol.21,p.7119-7123

[15]OrganicLetters,2020,vol.22,p.4974-4978

[16]TetrahedronLetters,2020,vol.61

2216-52-6    7163-50-0   
(+)-<(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl>-4-methylphenylglyoxylat 

[1]Pelzer,Ralf;Scharf,Hans-Dieter;Buschmann,Helmut;Runsink,Jan[ChemischeBerichte,1989,vol.122,p.1187-1192]

[1]TetrahedronLetters,2013,vol.54,p.5387-5390

[2]JournalofOrganicChemistry,1980,vol.45,p.2976-2984

[3]ChemicalBiologyandDrugDesign,2016,vol.87,p.112-120

[1]AdvancedSynthesisandCatalysis,2013,vol.355,p.1517-1522

[1]Mahaveer;Kulkarni;Radakrishna;Chandrashekar;Achaiah[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2013,vol.52,#6,p.818-823]

Literature

Title: Integration of newly isolated biocatalyst and resin-based in situ product removal technique for the asymmetric synthesis of (R)-methyl mandelate.

Journal: Bioprocess and biosystems engineering 20100901

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SDS
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Tags:7163-50-0 Molecular Formula|7163-50-0 MDL|7163-50-0 SMILES|7163-50-0 (4-Methylphenyl)(oxo)acetic acid
Catalog No.: AA005RCO
7163-50-0,MFCD00961859
7163-50-0 | (4-Methylphenyl)(oxo)acetic acid
Pack Size： 100mg
Purity： tech
in stock
$72.00 $50.00
Pack Size： 1g
Purity： 96%
in stock
$107.00 $75.00
Pack Size： 5g
Purity： 96%
in stock
$297.00 $208.00
Pack Size： 10g
Purity： 96%
in stock
$456.00 $319.00
Pack Size： 25g
Purity： 96%
in stock
$774.00 $542.00
Pack Size： 100g
Purity： 96%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005RCO
Chemical Name: (4-Methylphenyl)(oxo)acetic acid
CAS Number: 7163-50-0
Molecular Formula: C9H8O3
Molecular Weight: 164.1580
MDL Number: MFCD00961859
SMILES: O=C(c1ccc(cc1)C)C(=O)O
Properties
BP: 290.6 °C at 760 mmHg  
Form: Solid  
Storage: Room Temperature;  
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
5524-56-1    7163-50-0 

[1]BioorganicandMedicinalChemistry,1997,vol.5,p.1555-1567

[2]JournaloftheAmericanChemicalSociety,2019,vol.141,p.16237-16242

[3]JournalofOrganicChemistryUSSR(EnglishTranslation),1966,vol.2,p.14-15    ZhurnalOrganicheskoiKhimii,1966,vol.2,p.17-19

[4]JournalofMedicinalChemistry,1981,vol.24,p.399-404

[5]JournaloftheAmericanChemicalSociety,1995,vol.117,p.3999-4013

[6]Patent:EP1486483,2004,A1.Locationinpatent:Page29

[7]Patent:EP1541557,2005,A1.Locationinpatent:Page/Pagecolumn49

[8]CatalysisToday,2012,vol.198,p.345-352

[9]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2013,vol.52,p.818-823

[10]ChemicalCommunications,2014,vol.50,p.4489-4491

[11]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.1958-1962

[12]BeilsteinJournalofOrganicChemistry,2018,vol.14,p.1215-1221

[13]Chemistry-AEuropeanJournal,2018,vol.24,p.8114-8125

[14]OrganicLetters,2019,vol.21,p.7119-7123

[15]OrganicLetters,2020,vol.22,p.4974-4978

[16]TetrahedronLetters,2020,vol.61

2216-52-6    7163-50-0   
(+)-<(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl>-4-methylphenylglyoxylat 

[1]Pelzer,Ralf;Scharf,Hans-Dieter;Buschmann,Helmut;Runsink,Jan[ChemischeBerichte,1989,vol.122,p.1187-1192]

4755-77-5    108-88-3    5524-56-1    7163-50-0 

[1]TetrahedronLetters,2013,vol.54,p.5387-5390

[2]JournalofOrganicChemistry,1980,vol.45,p.2976-2984

[3]ChemicalBiologyandDrugDesign,2016,vol.87,p.112-120

7163-50-0    4783-68-0    1173294-97-7 

[1]AdvancedSynthesisandCatalysis,2013,vol.355,p.1517-1522

7163-50-0    126208-61-5    1486470-32-9 

[1]Mahaveer;Kulkarni;Radakrishna;Chandrashekar;Achaiah[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2013,vol.52,#6,p.818-823]

Literature fold

Title: Integration of newly isolated biocatalyst and resin-based in situ product removal technique for the asymmetric synthesis of (R)-methyl mandelate.

Journal: Bioprocess and biosystems engineering20100901

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53676-89-4
53676-89-4
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