6-Nitro-1,3-benzodioxole-5-carboxylic acid

Name: 6-Nitro-1,3-benzodioxole-5-carboxylic acid
SKU: ACM716325
Rating: 5 (1 reviews)

CAS

716-32-5

Catalog Number

ACM716325

Category

Other Products

Molecular Weight

211.128400 [g/mol]

Molecular Formula

C8H5NO6

If you have any other questions or need other size, please get a quote.

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

Canonical 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

H-Bond Donor

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.