N-cyclohexyl-N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonic acid

The N-cyclohexyl-N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonic acid is an organic compound with the formula C₁₄H₂₆N₃O^.C₇H₇O₃S. The IUPAC name of this chemical is  N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonate. With the CAS registry number 2491-17-0, it is also named as 4-(2-{[(Cyclohexylimino)methylene]amino}ethyl)-4-methylmorpholin-4-ium 4-methylbenzenesulfonate. The product's categories are Biochemistry; Condensation & Active Esterification; Coupling Reactions (Peptide Synthesis); Peptide Synthesis; Synthetic Organic Chemistry.

Physical properties about N-cyclohexyl-N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonic acid are: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -0.05; (3)ACD/LogD (pH 7.4): -0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.41; (7)ACD/KOC (pH 7.4): 22.41; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 33.95 Å².

Preparation of N-cyclohexyl-N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonic acid: this chemical can be prepared by cyclohexyl-(2-morpholin-4-yl-ethyl)-carbodiimide and toluene-4-sulfonic acid methyl ester. This reaction will need solvent diethyl ether at ambient temperature. The yield is about 83%.

Uses of N-cyclohexyl-N-[2-(4-methyl-1-oxa-4-azoniacyclohex-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonic acid: it can be used to produce 8-chloro-1-(2,2-dimethyl-propyl)-6-naphthalen-1-yl-1,3,4,6-tetrahydro-benzo[c][1,5]thiazocin-2-one. It will need reagent CH₂Cl₂. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.N(=C=N\CC[N+]1(C)CCOCC1)\C2CCCCC2
(2)InChI: InChI=1/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(3)InChIKey: GBCAVSYHPPARHX-REWHXWOFAT
(4)Std. InChI: InChI=1S/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(5)Std. InChIKey: GBCAVSYHPPARHX-UHFFFAOYSA-M