CAS
62518-75-6 Purity
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62518-75-6 Purity
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3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
CAS
62522-63-8
Catalog Number
ACM62522638
Category
Other Products
Molecular Weight
247.66
Molecular Formula
C8H6ClNO4S
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Specification
Synonyms
6-(Chlorosulphonyl)-2,3-dihydro-3-methyl-2-oxo-1,3-benzoxazole
IUPAC Name
3-methyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride
Canonical SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)OC1=O
InChI Key
MRSCMVKREGBNOW-UHFFFAOYSA-N
Melting Point
137-139ºC
Exact Mass
246.97100
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
8-22-26-30-36/37/39-45
Upstream Synthesis Route 1
- 21892-80-8
- 62522-63-8
Reference: [1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 20, p. 4875 - 4889
Upstream Synthesis Route 2
- 59-49-4
- 62522-63-8
Reference: [1] Chemistry of Heterocyclic Compounds, 2011, vol. 47, # 1, p. 90 - 95
[2] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 20, p. 4875 - 4889
[3] Patent: CN107098846, 2017, A,
Upstream Synthesis Route 3
- 1216666-32-8
- 62522-63-8
Reference: [1] Chemistry of Heterocyclic Compounds, 2011, vol. 47, # 1, p. 90 - 95
Upstream Synthesis Route 4
- 21892-80-8
- 62522-63-8
Reference: [1]Zhou, Yuchen; McGillick, Brian E.; Teng, Yu-Han Gary; Haranahalli, Krupanandan; Ojima, Iwao; Swaminathan, Subramanyam; Rizzo, Robert C.
[Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 20, p. 4875 - 4889]
Downstream Synthesis Route 1
- 111-92-2
- 62522-63-8
- 62522-64-9
Reference: [1]Location in patent: experimental part
Karimova; Dushamov; Kuryazov; Mukhamedov
[Chemistry of Heterocyclic Compounds, 2011, vol. 47, # 1, p. 90 - 95]
[2]Savitskaya,N.V. et al.
[Pharmaceutical Chemistry Journal, 1976, vol. 10, # 7, p. 868 - 872][Khimiko-Farmatsevticheskii Zhurnal, 1976, vol. 10, # 7, p. 23 - 28]
Downstream Synthesis Route 2
- 62522-63-8
- 62522-62-7
Reference: [1]Current Patent Assignee: CHINESE ACADEMY OF MEDICAL SCIENCES - CN107098846, 2017, A
Location in patent: Paragraph 2433; 2439; 2440
[2]Savitskaya,N.V. et al.
[Pharmaceutical Chemistry Journal, 1976, vol. 10, # 7, p. 868 - 872][Khimiko-Farmatsevticheskii Zhurnal, 1976, vol. 10, # 7, p. 23 - 28]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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