CAS
165806-51-9 Purity
96%
165806-51-9 Purity
96%
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Benzene,1-fluoro-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
CAS
165806-95-1
Catalog Number
ACM165806951
Category
Other Products
Molecular Weight
289.32
Molecular Formula
C15H12FNO2S
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
CID10827289, CID 10827289, S-1012, alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile, 165806-95-1
IUPAC Name
1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)F)[N+]#[C-]
InChI Key
UXCQPEDHCCJBNL-UHFFFAOYSA-N
Boiling Point
164.5ºC at 760mmHg
Flash Point
73.3ºC
Density
1.46g/cm³
Exact Mass
289.05700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
0
Upstream Synthesis Route 1
- 165806-94-0
- 165806-95-1
Reference: [1] Patent: US6046208, 2000, A,
Upstream Synthesis Route 2
- 536-57-2
- 165806-95-1
Reference: [1] Tetrahedron Letters, 1996, vol. 37, # 45, p. 8113 - 8116
[2] Tetrahedron Letters, 1996, vol. 37, # 45, p. 8113 - 8116
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 20, p. 3929 - 3937
[4] Organic Syntheses, 2000, vol. 77, p. 198 - 198
[5] Journal of Medicinal Chemistry, 2018,
Upstream Synthesis Route 3
- 185243-80-5
- 165806-95-1
Reference: [1] Tetrahedron Letters, 1996, vol. 37, # 45, p. 8113 - 8116
Upstream Synthesis Route 4
- 165806-94-0
- 165806-95-1
Reference: [1]Patent: US6046208,2000,A
Downstream Synthesis Route 1
- 36768-62-4
- 165806-95-1
- 78-98-8
- 193071-96-4
Reference: [1]Journal of Organic Chemistry,1998,vol. 63,p. 4529 - 4531
[2]Patent: US6239279,2001,B1
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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CAS
165806-94-0 Purity
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165806-94-0 Purity
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