Citrazinic acid

CAS

99-11-6

Catalog Number

ACM99116

Category

Other Products

Molecular Weight

155.11

Molecular Formula

C₆H₅NO₄

MSDS COA Spec Sheet

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What is the molecular formula of citrazinic acid?

The molecular formula of citrazinic acid is C6H5NO4.

What is the molecular weight of citrazinic acid?

The molecular weight of citrazinic acid is 155.11 g/mol.

What are some synonyms of citrazinic acid?

Some synonyms of citrazinic acid include 2,6-Dihydroxyisonicotinic acid and 2,6-Dihydroxypyridine-4-carboxylic acid.

When was citrazinic acid first created and modified?

Citrazinic acid was first created on March 26, 2005, and last modified on December 30, 2023.

What is the IUPAC name of citrazinic acid?

The IUPAC name of citrazinic acid is 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.

What is the InChI key of citrazinic acid?

The InChI key of citrazinic acid is CSGQJHQYWJLPKY-UHFFFAOYSA-N.

What is the Canonical SMILES representation of citrazinic acid?

The Canonical SMILES representation of citrazinic acid is C1=C(C=C(NC1=O)O)C(=O)O.

What is the CAS number of citrazinic acid?

The CAS number of citrazinic acid is 99-11-6.

How many hydrogen bond donor counts does citrazinic acid have?

Citrazinic acid has 3 hydrogen bond donor counts.

What is the topological polar surface area of citrazinic acid?

The topological polar surface area of citrazinic acid is 86.6 Å2.

Upstream Synthesis Route 1

1587-20-8

99-11-6

Reference: [1]Journal of the Chemical Society,1892,vol. 61,p. 1009
[2]Cesko-Slovenska Farmacie,1957,vol. 6,p. 369,370
Chem.Abstr.,1958,p. 10071

Downstream Synthesis Route 1

99-11-6

42521-08-4

Reference: [1] Organic Letters, 2001, vol. 3, # 26, p. 4263 - 4265
[2] Organic Letters, 2003, vol. 5, # 7, p. 967 - 970
[3] Patent: WO2004/46103, 2004, A2, . Location in patent: Page 33-34
[4] Arkivoc, 2011, vol. 2011, # 6, p. 92 - 119
[5] ChemMedChem, 2013, vol. 8, # 6, p. 967 - 975

Downstream Synthesis Route 2

99-11-6

6457-49-4

Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1938, vol. <2> 151, p. 65,79

Downstream Synthesis Route 3

99-11-6

113293-70-2

Reference: [1] Chemical Communications, 1998, # 15, p. 1567 - 1568
[2] Patent: WO2012/97682, 2012, A1,

Downstream Synthesis Route 4

64-17-5
99-11-6

91013-21-7

Reference: [1]Current Patent Assignee: JOHNSON & JOHNSON INC; TB ALLIANCE INC - WO2017/155909, 2017, A1
Location in patent: Paragraph 0212
[2]Sutherland, Hamish S.; Tong, Amy S.T.; Choi, Peter J.; Conole, Daniel; Blaser, Adrian; Franzblau, Scott G.; Cooper, Christopher B.; Upton, Anna M.; Lotlikar, Manisha U.; Denny, William A.; Palmer, Brian D.
[Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1797 - 1809]
[3]Blaser, Adrian; Sutherland, Hamish S.; Tong, Amy S.T.; Choi, Peter J.; Conole, Daniel; Franzblau, Scott G.; Cooper, Christopher B.; Upton, Anna M.; Lotlikar, Manisha; Denny, William A.; Palmer, Brian D.
[Bioorganic and Medicinal Chemistry, 2019, vol. 27, # 7, p. 1283 - 1291]
[4]Blaser, Adrian; Choi, Peter J.; Cooper, Christopher B.; Denny, William A.; Franzblau, Scott G.; Lotlikar, Manisha; Palmer, Brian D.; Sutherland, Hamish S.; Tong, Amy S. T.; Upton, Anna M.
[Bioorganic and medicinal chemistry, 2020, vol. 28, # 1]
[5]Current Patent Assignee: BAYER AG - DE657451, 1936, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 24, p. 375][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 24, p. 375]

Downstream Synthesis Route 5

99-11-6

5398-44-7

Reference: [1]McCarney, Eoin P.; Byrne, Joseph P.; Twamley, Brendan; Martínez-Calvo, Miguel; Ryan, Gavin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur
[Chemical Communications, 2015, vol. 51, # 74, p. 14123 - 14126]

* For details of the synthesis route, please refer to the original source to ensure accuracy.