CAS
5734-68-9 Purity
96%
5734-68-9 Purity
96%
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5-Methyl-3-isoxazolecarbonitrile
CAS
57351-99-2
Catalog Number
ACM57351992
Category
Other Products
Molecular Weight
108.09806
Molecular Formula
C5H4N2O
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Specification
Synonyms
3-Cyano-5-methylisoxazole
IUPAC Name
5-methyl-1,2-oxazole-3-carbonitrile
Canonical SMILES
CC1=CC(=NO1)C#N
InChI Key
JTPIMYCMWLOEDD-UHFFFAOYSA-N
Boiling Point
249.4ºC at 760mmHg
Flash Point
104.6ºC
Density
1.18g/cm³
Exact Mass
108.03200
H-Bond Acceptor
3
H-Bond Donor
0
Upstream Synthesis Route 1
- 89322-78-1
- 57351-99-2
Reference: [1] Journal of Medicinal Chemistry, 2000, vol. 43, # 16, p. 3168 - 3185
[2] Patent: WO2009/70485, 2009, A1, . Location in patent: Page/Page column 135-136
Upstream Synthesis Route 2
- 3445-52-1
- 57351-99-2
Reference: [1] ChemMedChem, 2017, vol. 12, # 1, p. 50 - 65
[2] Gazzetta Chimica Italiana, 1938, vol. 68, p. 625,635
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1972, p. 2441 - 2445
Upstream Synthesis Route 3
- 3209-72-1
- 57351-99-2
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1972, p. 2441 - 2445
[2] ChemMedChem, 2017, vol. 12, # 1, p. 50 - 65
Downstream Synthesis Route 1
- 57351-99-2
- 917-64-6
- 24068-54-0
Reference: [1]Gazzetta Chimica Italiana,1939,vol. 69,p. 536,541
Downstream Synthesis Route 2
- 57351-99-2
- 154016-48-5
Reference: [1]Gazzetta Chimica Italiana,1938,vol. 68,p. 625,635
Downstream Synthesis Route 3
- 57351-99-2
- 77358-26-0
Reference: [1]Journal of Organic Chemistry,1954,vol. 19,p. 753,755
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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