Structure

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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  • 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
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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