Benzyltrimethylammonium dichloroiodate

• CAS: 114971-52-7
• Catalog Number: ACM114971527-1
• Category: Other Products
• Molecular Weight: 348.05
• Molecular Formula: C10H16Cl2IN
• Synonyms: Benzenemethanaminium, N,N,N-trimethyl-, dichloroiodate(1-)
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
• InChI: InChI=1S/C10H16N.Cl2I/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
• InChI Key: PPDJNZTUDFPAHX-UHFFFAOYSA-N
• Application: Benzyltrimethylammonium dichloroiodate is used in the mechanism of oxidation.
• Storage: Store at 0-5°C
• Complexity: 109
• Covalently-Bonded Unit Count: 2
• EC Number: 601-338-7
• Exact Mass: 346.97g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 346.97g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 0A^2

Synthetic Use

Upstream Synthesis Route 1

• 56-93-9

• 114971-52-7

Reference: [1] Tetrahedron Letters, 2012, vol. 53, # 41, p. 5555 - 5558
[2] Synthesis, 1988, # 7, p. 545 - 546
[3] Chemistry Letters, 1987, p. 2109 - 2112
[4] Chemical Communications, 2013, vol. 49, # 39, p. 4346 - 4348

Upstream Synthesis Route 2

• 121309-88-4
• 108-88-3

• 98-87-3
• 114971-52-7
• 100-44-7

Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 45, p. 5783 - 5786

Upstream Synthesis Route 3

• 56-93-9

• 114971-52-7

Reference: [1]Tetrahedron Letters,2012,vol. 53,p. 5555 - 5558
[2]Synthesis,1988,p. 545 - 546
[3]Chemistry Letters,1987,p. 2109 - 2112
[4]Chemical Communications,2013,vol. 49,p. 4346 - 4348

Upstream Synthesis Route 4

• 121309-88-4
• 108-88-3

• 98-87-3
• 114971-52-7
• 100-44-7

Reference: [1]Tetrahedron Letters,1988,vol. 29,p. 5783 - 5786

Downstream Synthesis Route 1

• 114971-52-7

• 121309-88-4

Reference: [1]Tetrahedron Letters,1988,vol. 29,p. 5783 - 5786
[2]Chemistry Letters,1989,p. 415 - 418

* For details of the synthesis route, please refer to the original source to ensure accuracy.