Ammonia → HCID 67152101, compound

HRID 2043824Notes

Reaction equation

HRID 2043824 reaction equation
[ClH:1].[N:2]12[CH2:11][CH:6]3[CH2:7][CH:8]([CH2:10][CH:4]([C@@H:5]3[NH2:12])[CH2:3]1)[CH2:9]2.[S:13]1[C:17]2[CH:18]=[C:19]([C:22](O)=[O:23])[CH:20]=[CH:21][C:16]=2[N:15]=[CH:14]1.N>>[ClH:1].[N:2]12[CH2:11][CH:6]3[CH2:7][CH:8]([CH2:10][CH:4]([C@@H:5]3[NH:12][C:22]([C:19]3[CH:20]=[CH:21][C:16]4[N:15]=[CH:14][S:13][C:17]=4[CH:18]=3)=[O:23])[CH2:3]1)[CH2:9]2

Participants

4

Reactant 3

HCID 222AmmoniaHCID 601670Benzothiazole-6-carboxylic acidHCID 671521221-Azatricyclo[3.3.1.1,3,7]decan-4-amine hydrochloride

Product 1

HCID 67152101HCID 67152101, compound

Procedure

Prepared from (4s)-1-azatricyclo[3.3.1.13,7]dec-4-ylamine hydrochloride and benzothiazole-6-carboxylic acid (Maybridge); yield 99 mg, 0.28 mmol (77%) according to methods A and C: 1H NMR (300 MHz, methanol-d4) δ 1.99 (d, J=14 Hz, 2H), 2.22 (s, 1H), 2.37 (d, J=14 Hz, 2H), 2.50 (s, 2H), 3.59 (s, 2H), 3.70 (s, 4H), 4.45 (s, 1H), 8.03 (dd, J=8, 2 Hz, 1H), 8.16 (d, J=8 Hz, 1H), 8.62 (d, J=2 Hz, 1H), 9.41 (s, 1H); MS (DCI/NH3) m/z 314 (M+H)+; Anal. C17H19N3OS.HCl.0.3H2O: C, H, N.

Sources & evidence

ORD record
ord-e72b54451dd64b69b5674f91e90f0583
Source dataset
uspto-grants-2013_11
Patent number
US08586746B2

Reaction notes

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