2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

Base Information

Chemical Name:2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine
CAS No.:185346-09-2
Molecular Formula:C25H19N3O2
Molecular Weight:393.44
Hs Code.:29333990
European Community (EC) Number:693-024-1
DSSTox Substance ID:DTXSID00442926
Nikkaji Number:J795.930C
Wikidata:Q72445021
ChEMBL ID:CHEMBL4294294
Mol file:185346-09-2.mol

Synonyms:185346-09-2;2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine;2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine;(3aR,8bS)-2-[6-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pyridin-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;(-)-2,6-BIS[2-[3AS-(2(3'AR*,8'AS*),3A,8A)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE;(-)-2,6-Bis[2-{3aS-(2(3'aR*,8'aS*),3a,8a)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole}]pyridine;(3aS,8aR)-in-pybox;MFCD05861599;(S,R)-In-Pybox;CHEMBL4294294;SCHEMBL13615537;DTXSID00442926;BZSJUFJXCHHRHW-LUKWVAJMSA-N;AKOS016009581;CS-W008391;SC11769;AS-72355;A880717;J-011890;(3aS,3'aS,8aR,8'aR)-2,2'-(2,6-Pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole;2,2'-(2,6-Pyridinediyl)bis(8,8aalpha-dihydro-3aalphaH-indeno[1,2-d]oxazole);2,6-BIS[(3AS,8AR)-3AH,8H,8AH-INDENO[1,2-D][1,3]OXAZOL-2-YL]PYRIDINE;(-)-2,6-BIS[2-[3AS-(2(3/'AR*,8/'AS*),3A,8A)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE;(3aS,8aR,3a'S,8a'R)-2,2'-(Pyridine-2,6-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)

Suppliers and Price of 2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

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

Strem Chemicals
(-)-2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine, min. 97% Indenyl-PYBOX
250mg
$ 227.00

Strem Chemicals
250mg
$ 108.00

Strem Chemicals
(-)-2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine, min. 97% Indenyl-PYBOX
1g
$ 683.00

Sigma-Aldrich
2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine
1g
$ 456.00

Sigma-Aldrich
2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine
250mg
$ 120.00

Matrix Scientific
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 95+%
250mg
$ 288.00

Matrix Scientific
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 95+%
1g
$ 639.00

Crysdot
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 98%
5g
$ 1100.00

Crysdot
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 98%
1g
$ 274.00

Crysdot
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 98%
250mg
$ 110.00

Total 30 raw suppliers

Chemical Property of 2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

Chemical Property:

Melting Point:265°C (dec.)
Boiling Point:633.0±55.0 °C(Predicted)
PKA:4.35±0.20(Predicted)
PSA：56.07000
Density:1.50±0.1 g/cm3(Predicted)
LogP:2.83840
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:393.147726857
Heavy Atom Count:30
Complexity:691

Purity/Quality:

97% ^*data from raw suppliers

(-)-2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine, min. 97% Indenyl-PYBOX ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1C2C(C3=CC=CC=C31)N=C(O2)C4=NC(=CC=C4)C5=NC6C(O5)CC7=CC=CC=C67
Isomeric SMILES:C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=NC(=CC=C4)C5=N[C@@H]6[C@H](O5)CC7=CC=CC=C67
Uses Reactant involved in synthesis of:Chiral ruthenium(II)-pybox complexes for use as intramolecular C-H amination catalystsBis(oxazolinyl_pyridine-scandium(III) triflate complex catalyst for enantioselective addition of pyrroles to indolesChiral N,N,N-tridentate pybos and pyboxazine ligands

Technology Process of 2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine

There total 7 articles about 2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine 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: 89.0%

: 2893-33-6
pyridine-2,6-dinitrile

: 7480-35-5,13286-59-4,74165-73-4,126456-43-7,136030-00-7,140632-19-5,140632-20-8
(1S,2R)-1-amino-2-indanol

: 185346-09-2,357209-32-6
2,6-bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine

Guidance literature:: pyridine-2,6-dinitrile; With sodium; In methanol; for 48h; Inert atmosphere;

(1S,2R)-1-amino-2-indanol; In dichloromethane; at 40 ℃; for 4h; Inert atmosphere;
DOI:10.1002/anie.201105739

Reference yield: 73.0%

: Pyridine-2,6-dicarboxylic acid bis-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]

: 185346-09-2,357209-32-6
2,6-bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine

Guidance literature:: With boron trifluoride diethyl etherate; at 120 ℃; for 6h;
DOI:10.1021/jo9616264

Reference yield:

: (S)-2-amino-indan-1-ol

: 3739-94-4
2,6-Pyridinedicarbonyl dichloride

: 185346-09-2,357209-32-6
2,6-bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine

Guidance literature:: (S)-2-amino-indan-1-ol; 2,6-Pyridinedicarbonyl dichloride; With potassium hydrogencarbonate; In Isopropyl acetate; at 80 ℃;

With boron trifluoride diethyl etherate; at 125 ℃; Further stages.;
DOI:10.1021/ol005721h