Catalog No.:AA003JYJ

60875-16-3 | 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

Name: Name:4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
Brand: AABLOCKS
SKU: AA003JYJ
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003JYJ

Chemical Name:

4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

CAS Number:

60875-16-3

Molecular Formula:

C11H10N2O3

Molecular Weight:

218.2087

MDL Number:

MFCD00003135

SMILES:

OC(=O)c1ccc(cc1)N1N=C(CC1=O)C

Properties

BP:

477.6°C at 760 mmHg

Form:

Solid

MP:

285 °C(dec.)(lit.)

Refractive Index:

1.5300 (estimate)

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

343

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

0.8

Downstream Synthesis Route

60875-16-3

415943-88-3

4-{4-5-(4-methoxy-2-nitro-phenyl)-furan-2-ylmethylene-3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl}-benzoicacid

C23H17N3O7

[1]CurrentPatentAssignee:QUEEN'SUNIVERSITYATKINGSTON-US2005/282840,2005,A1Locationinpatent:Page/Pagecolumn61

104-42-7

60875-16-3

1067676-60-1

[1]Patent:US2008/249290,2008,A1.Locationinpatent:Page/Pagecolumn22

141-97-9

619-67-0

60875-16-3

[1]Tetrahedron,2012,vol.68,p.8636-8644

[2]JournalofChemicalResearch,2012,vol.36,p.691-696

[3]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.4022-4026

[4]Patent:US2010/216853,2010,A1.Locationinpatent:Page/Pagecolumn19

[5]ChemistryandBiology,2010,vol.17,p.471-482

13803-39-9

60875-16-3

1093127-81-1

[1]CurrentPatentAssignee:WISTARINSTITUTE;THEJOHNSHOPKINSUNIVERSITY-US2010/216853,2010,A1Locationinpatent:Page/Pagecolumn20

24589-77-3

141-97-9

60875-16-3

[1]JournalofMedicinalChemistry,2017,vol.60,p.8055-8070

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: G M Antón-Fos, et al. Pharmacological Studies of the Two New Hypoglycaemic Compounds 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic Acid and 1-(mesitylen-2-sulfonyl)-1H-1,2,4-triazole. Arzneimittelforschung. 1994 Jul;44(7):821-6.

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