BOC-DAP(Z)-OH

N2-(tert-Butoxycarbonyl)-L-2, 3-diaminopropionic acid, from step 1, (3, 8 g, 0, 018 mol, 1 eq. ) was dissolved in aqueous sodium carbonate 10percent (2, 2 eq. ) at 25°C and 1, 4-dioxane (38ML). To this solution, benzylchloroformate (3ML, 0, 020 mol, 1, 1 eq. ) was added dropwise and the solution was stirred at 25°C for 3h. At the end of the reaction, the mixture was poured in water (100ML) and washed with diethyl ether (100ML). To the aqueous solution, HCI 37percent (6 ml) was added till pH 2 and the obtained mixture was extracted with Ethyl Acetate (100ML). The organic layer was separated, washed with brine and dried over sodium sulfate anhydrous. The solvent was removed under reduced pressure to give a colourless oil that under vacuum gave a white foam. Yield 93percent, 5, 9 g. Analytical data: silica gel (dicloromethane/methanol/acetic acid 5/3/1) Rf 1. H NMR (DMSO-d6) 12.6 (1H br s); 7.35 (5H m); 6.94 (1H, d); 5 (2H, s); 4.1 (2H, M) ; 1.4 (9H, s).Synthesis of (S)-4-methyInaphthalene-1-sulfonic acid [1-aminomethyl-2- (naphthalen-2-ylmethoxy)ethyl]amide (compound 6); Step I; [0085] Boc-L-Dap-OH (817 mg, 204, 23 g/mol, 4.0 mmol, 1 eq) was dissolved in MeOH (6 ml, dry) under argon atmosphere. The reaction mixture was cooled to 0 N

Molecular Weight:338.36
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:338.14778643
Monoisotopic Mass:338.14778643
Topological Polar Surface Area:114
Heavy Atom Count:24
Complexity:440
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes