Tert-Butyl (1R,2S,5S)-2-Amino-5-(Dimethyl Carbamoy
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Tert-Butyl (1R,2S,5S)-2-Amino-5-(Dimethyl Carbamoy
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CAS No:
1353893-22-7
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Formula:
C16H31N3O8
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Chemical Name:
Tert-Butyl (1R,2S,5S)-2-Amino-5-(Dimethyl Carbamoy
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Synonyms:
5S)-2-azido-5-[(dimethylamino)carbonyl]cyclohexylc
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CAS No:
Tert-Butyl (1R,2S,5S)-2-Amino-5-(Dimethyl Carbamoy Use and Manufacturing
Acetonitrile (595 ml) and water (43 ml) were added to compound (1a) (45.61 g, 0.16 mol), and the mixture was heated to an internal temperature of 50 to 70°C with stirring. To this solution, a solution prepared in advance from anhydrous oxalic acid (18.87 g, 0.21 mol) and acetonitrile (255 ml) was added dropwise over 1 hour with the internal temperature kept at 50 to 70°C. After completion of the dropwise addition, the reaction mixture was stirred at 50 to 70°C for 5 hours and then cooled to an internal temperature of 20 to 40°C. The precipitated crystals were collected, washed with acetonitrile, and then dried to obtain monohydrate crystals of the compound represented by formula (1b) (59.14 g, 94.1percent) The powder x-ray diffraction diagram of the obtained monohydrate crystals represented by formula (1b) and the results of thermal analysis thereon were the same as those of the Form 2 monohydrate crystals of shown in Figures 4 and 8.
Computed Properties
Molecular Weight:393.43
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:393.21111496
Monoisotopic Mass:393.21111496
Topological Polar Surface Area:160
Heavy Atom Count:27
Complexity:435
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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Tert-Butyl (1R,2S,5S)-2-Amino-5-(Dimethyl Carbamoy
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