(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester

Base Information

Chemical Name:(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester
CAS No.:480449-84-1
Molecular Formula:C14H26N2O4
Molecular Weight:286.371
Hs Code.:
DSSTox Substance ID:DTXSID40580997
Wikidata:Q82472009
Mol file:480449-84-1.mol

Synonyms:480449-84-1;(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester;Ethyl (1S,3R,4S)-4-amino-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate;(1S,3R,4S)-Ethyl 4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate;ethyl (1S,3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexane-carboxylic acid ethyl ester;SCHEMBL765476;DTXSID40580997;STWAQGKVYHZJCJ-GARJFASQSA-N;BCP25259;MFCD22190459;PS-16709;CS-0056354;P13076;EN300-26514191;(1S,2R,4S)-N2-tert-Butoxycarbonyl-4-ethoxycarbonyl-1,2-cyclohexanediamine;(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylicacidethylester-A13801;(1S,3R,4S)-ethyl 4-aMino-3-(tert-butoxycarbonylaMino)cyclohexanecarboxylate;(1S,3R,4S)-Ethyl4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate;Ethyl (1S,3R,4S)-4-amino-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylate

Suppliers and Price of (1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexane-carboxylicacidethylester 95+%
1g
$ 4274.00

Crysdot
(1S,3R,4S)-Ethyl4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate 95+%
100mg
$ 464.00

Ambeed
(1S,3R,4S)-Ethyl4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate 98+%
250mg
$ 1386.00

Total 9 raw suppliers

Chemical Property of (1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester

Chemical Property:

Boiling Point:393.0±42.0 °C(Predicted)
PSA：94.14000
Density:1.09±0.1 g/cm3(Predicted)
LogP:2.47490
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:286.18925731
Heavy Atom Count:20
Complexity:352

Purity/Quality:

97% ^*data from raw suppliers

(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexane-carboxylicacidethylester 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCC(C(C1)NC(=O)OC(C)(C)C)N
Isomeric SMILES:CCOC(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)OC(C)(C)C)N
Uses Ethyl (1S,3R,4S)-4-Amino-3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylate is an intermediate in the synthesis of Edoxaban-d6 (E555522), the isotope labelled analog of Edoxaban (E555520); an anticoagulant drug which acts as a direct factor Xa inhibitor.

Technology Process of (1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester

There total 13 articles about (1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexanecarboxylic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 365997-34-8
ethyl (1S,3R,4S)-4-azido-3-(tert-butoxycarbonylamino)-cyclohexane-1-carboxylate

: 480449-84-1
ethyl (1S,3R,4S)-4-amino-3-[(tert-butoxycarbonyl)amino]-cyclohexanecarboxylate

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In ethanol; ethyl acetate; at 20 ℃; for 17h; under 3677.86 Torr;
DOI:10.1016/j.bmc.2008.12.037