tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate
- CAS No.
- 1210348-34-7
- Chemical Name:
- tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate
- Synonyms
- Tert-Butyl(1R,2S,5S)-2-azido-5-[(diMethylaMino)carbonyl]cyclohexylcarbaMate oxalic acid;N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-Carbamic acid, 1,1-dimethylethyl ester, ethanedioate (1:1);Edoxaban-1;EBD3313800;Yidu Saban Impurity A;Edoxaban Intermediate II;Idosaiban intermediate 2;2EthanediaMide iMpurity A;EthanediaMide iMpurity A;(1S,2R,4S)-2-[(tert-Butoxyc
- CBNumber:
- CB12670860
- Molecular Formula:
- C16H29N3O7
- Molecular Weight:
- 375.42
- MOL File:
- 1210348-34-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/12/21 13:59:16
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
---|---|
solubility | DMSO (Slightly), Methanol (Slightly) |
form | Solid |
color | White |
InChI | InChI=1/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/s3 |
InChIKey | IERZZGXDUZIMSC-FPTARDKGNA-N |
SMILES | C(=O)(O)C(=O)O.N([C@H]1[C@H](CC[C@H](C(=O)N(C)C)C1)N)C(=O)OC(C)(C)C |&1:7,8,11,r| |
CAS DataBase Reference | 1210348-34-7 |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS07 |
---|---|
Signal word | Warning |
Hazard statements | H302-H315-H319-H335 |
Precautionary statements | P261-P305+P351+P338 |
tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate Chemical Properties,Uses,Production
Uses
tert-Butyl [(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate is a starting material and useful building block of various pharmaceuticals.
Uses
Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate is also called EthanediaMide iMpurity A. It is a starting material and useful component of various pharmaceuticals. As an organic synthesis intermediate and pharmaceutical intermediate. It could be used in the synthesis and research of the EthanediaMide.
Synthesis
Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate is prepared by the reaction of benzyl N-[(1S,2R,4S)-2-{[(tert-butoxy)carbonyl]amino}-4-(dimethylcarbamoyl)cyclohexyl]carbamate and Oxalic Acid. The steps are as follows:
Pd-C (230 mg) was added to a solution (35 mL) of benzyl t-butyl{(1S,2R,4S)-4-[(dimethylamino)carbonyl]cyclohexan-1,2-diyl}biscarbamate (2.3 g) in ethanol, and the mixture was stirred in a hydrogen atmosphere for 16 hours. Pd-C was removed by filtration, and the filtrate was concentrated under reduced pressure. Ethyl acetate (20 mL) and anhydrous oxalic acid (493.6 mg) were added to the residue, followed by stirring at room temperature for 17 hours. The formed crystals were recovered by filtration, to thereby yield 1.93 g of the Tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate.
tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate Preparation Products And Raw materials
Raw materials
Preparation Products
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