(4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol

Base Information Edit

Chemical Name:(4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
CAS No.:123671-92-1
Molecular Formula:C₁₄H₁₉NO₃
Molecular Weight:249.31
Hs Code.:
DSSTox Substance ID:DTXSID301018037
Wikipedia:PD-128,907
Wikidata:Q7118739
Pharos Ligand ID:4V9NHKX5V8A9
ChEMBL ID:CHEMBL70565
Mol file:123671-92-1.mol

Synonyms:3,4,4a,10b-tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol;3,4,4a,10b-tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, (+)-isomer;3,4,4a,10b-tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, (-)-isomer;PBPO;PBTO;PD 128907;PD-128907;PD128907

Suppliers and Price of (4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol

Supply Marketing:Edit

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

Total 4 raw suppliers

Chemical Property of (4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol Edit

Chemical Property:

PSA：41.93000
LogP:1.87440
Solubility.:ethanol: >10?mg/mL
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:249.13649347
Heavy Atom Count:18
Complexity:286

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s): A poison.
Hazard Codes: A poison.:;
Safety Statements: A poison by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NO.:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1CCOC2C1COC3=C2C=C(C=C3)O
Isomeric SMILES:CCCN1CCO[C@H]2[C@H]1COC3=C2C=C(C=C3)O

Technology Process of (4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol

There total 27 articles about (4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol 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: 38.0%

: 3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol

: 123-38-6
propionaldehyde

: 123594-64-9,112960-12-0,123671-92-1,123671-93-2
(+/-)-trans-3,4,4a,10b-tetrahydro-4-propyl-2H,5H-<1>benzopyrano<4,3-b>-1,4-oxazin-9-ol

: 4-propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol

Guidance literature:: 3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol; propionaldehyde; With acetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; for 1h;
DOI:10.1021/acsmedchemlett.9b00660