CAS
716316-09-5 Purity
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716316-09-5 Purity
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6-Nitro-1,3-benzodioxole-5-carboxylic acid
CAS
716-32-5
Catalog Number
ACM716325
Category
Other Products
Molecular Weight
211.128400 [g/mol]
Molecular Formula
C8H5NO6
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Specification
Synonyms
Piperonylic acid, 5-nitro-, NSC59447, MolPort-005-307-172, CID246435, 6-Nitro-1,3-benzodioxole-5-carboxylic acid, A4333/0184756, 716-32-5
IUPAC Name
6-nitro-1,3-benzodioxole-5-carboxylic acid
SMILES
C1OC2=C(O1)C=C(C(=C2)C(=O)O)[N+](=O)[O-]
InChI Key
XQJWBDDLVCMLAB-UHFFFAOYSA-N
Boiling Point
404ºC at 760 mmHg
Flash Point
198.1ºC
Density
1.689g/cm³
Exact Mass
211.01200
H-Bond Acceptor
6
H-Bond Donor
1
Upstream Synthesis Route 1
- 94-53-1
- 716-32-5
Reference: [1]Yang, Yajun; Zhu, Cuiju; Zhang, Min; Huang, Shijun; Lin, Jingjing; Pan, Xiandao; Su, Weiping
[Chemical Communications, 2016, vol. 52, # 87, p. 12869 - 12872]
[2]Current Patent Assignee: ADIR - US5332735, 1994, A
[3]Barbosa, Maria Letícia De Castro; Lima, Lídia Moreira; Tesch, Roberta; Sant'Anna, Carlos Mauricio R.; Totzke, Frank; Kubbutat, Michael H.G.; Schächtele, Christoph; Laufer, Stefan A.; Barreiro, Eliezer J.
[European Journal of Medicinal Chemistry, 2014, vol. 71, p. 1 - 14]
[4]Jobst; Hesse
[Justus Liebigs Annalen der Chemie, 1879, vol. 199, p. 73]
Mameli
[Gazzetta Chimica Italiana, 1909, vol. 39 II, p. 182]
[5]Jobst; Hesse
[Justus Liebigs Annalen der Chemie, 1879, vol. 199, p. 73]
Downstream Synthesis Route 1
- 716-32-5
- 20332-16-5
Reference: [1] Chemical Communications, 2016, vol. 52, # 87, p. 12869 - 12872
[2] Journal of Heterocyclic Chemistry, 1987, vol. 24, # 6, p. 1611 - 1616
[3] Patent: US6335344, 2002, B1, . Location in patent: Example 5
[4] Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1905, vol. <5> 14 II, p. 512[5] Gazzetta Chimica Italiana, 1906, vol. 36 I, p. 171
Downstream Synthesis Route 2
- 716-32-5
- 20332-16-5
Reference: [1]Chemical Communications,2016,vol. 52,p. 12869 - 12872
[2]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 1611 - 1616
[3]Patent: US6335344,2002,B1 .Location in patent: Example 5
[4]Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti,1905,vol. <5> 14 II,p. 512
Gazzetta Chimica Italiana,1906,vol. 36 I,p. 171
Downstream Synthesis Route 3
- 7647-01-0
- 716-32-5
- 3316-09-4
Reference: [1]Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti,1905,vol. <5> 14 II,p. 512
Gazzetta Chimica Italiana,1906,vol. 36 I,p. 171
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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