CAS
2719-40-6 Purity
96%
2719-40-6 Purity
96%
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1,2-Benzisoxazole
CAS
271-95-4
Catalog Number
ACM271954
Category
Other Products
Molecular Weight
119.1207
Molecular Formula
C7H5NO
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Specification
Synonyms
ISOINDOXAZINE; 1,2-Benzisoxazole; 1-Oxa-2-azaindene; 4,5-Benzisoxazole; INDOXAZENE; benzisoxazole radical; Benzo[d]isoxazole; Isoindoxazine; 1,2-benzoisoxazole; 1,2-BENZISOXAZOLE; 4,5-Benzisoazole;
IUPAC Name
1,2-benzoxazole
SMILES
C1=CC=C2C(=C1)C=NO2
InChI Key
KTZQTRPPVKQPFO-UHFFFAOYSA-N
Boiling Point
208.4ºC at 760 mmHg
Flash Point
86.1ºC
Density
1.174 g/mL at 25ºC(lit.)
EC Number
205-983-1
Exact Mass
119.03700
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
24/25
WGK Germany
3
Upstream Synthesis Route 1
- 59417-52-6
- 94-67-7
- 271-95-4
- 64-19-7
Reference: [1] Tetrahedron, 1981, vol. 37, # 17, p. 2977 - 2982
Upstream Synthesis Route 2
- 94-67-7
- 271-95-4
Reference: [1]Synthetic Communications,2014,vol. 44,p. 547 - 555
Downstream Synthesis Route 1
- 271-95-4
- 74-88-4
- 13673-62-6
Reference: [1] Patent: WO2008/53446, 2008, A2, . Location in patent: Page/Page column 26-27
Downstream Synthesis Route 2
- 271-95-4
- 39835-28-4
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 6, p. 1147 - 1150
[2] Journal of the American Chemical Society, 2000, vol. 122, # 6, p. 1022 - 1029
[3] Tetrahedron, 1967, vol. 23, p. 2001 - 2015
Downstream Synthesis Route 3
- 271-95-4
- 39835-28-4
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1147 - 1150
[2]Journal of the American Chemical Society,2000,vol. 122,p. 1022 - 1029
[3]Tetrahedron,1967,vol. 23,p. 2001 - 2015
Downstream Synthesis Route 4
- 271-95-4
- 16331-62-7
Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2008/318941, 2008, A1
Location in patent: Page/Page column 28
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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