Choline tosylate

• CAS: 55357-38-5
• Catalog Number: ACM55357385
• Category: Other Products
• Molecular Weight: 275.37
• Molecular Formula: C12H21NO4S
• Synonyms: 2-Hydroxy-N,N,N-trimethyl-ethanaminium 4-methylbenzenesulfonic acid salt
• IUPAC Name: 2-Hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCO
• InChI: InChI=1S/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
• InChI Key: DVGVMQVOCJNXNJ-UHFFFAOYSA-M
• Melting Point: 95 °C
• Complexity: 240
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• Exact Mass: 275.11912932
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 275.11912932
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 85.8 Ų

Synthetic Use

Upstream Synthesis Route 1

• 108-01-0
• 80-48-8

• 55357-38-5

Reference: [1] Russian Chemical Bulletin, 1998, vol. 47, # 8, p. 1547 - 1549

Downstream Synthesis Route 1

• 36653-82-4
• 55357-38-5

• 58066-85-6

Reference: [1] European Journal of Medicinal Chemistry, 2009, vol. 44, # 12, p. 4970 - 4977

Downstream Synthesis Route 2

• 17966-16-4
• 55357-38-5

• 816-94-4

Reference: [1]Patent: CN103408588,2016,B .Location in patent: Paragraph 0045; 0046

Downstream Synthesis Route 3

• 55357-38-5
• 84415-89-4

• 91326-84-0

Reference: [1]Lindh, Ingvar; Stawinski, Jacek
[Journal of Organic Chemistry, 1989, vol. 54, # 6, p. 1338 - 1342]

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