Unii-MD4F688MJ9

Base Information

Chemical Name:Unii-MD4F688MJ9
CAS No.:221284-06-6
Molecular Formula:C₃₀H₃₄F₃N₃O₆
Molecular Weight:589.612
Hs Code.:
UNII:MD4F688MJ9
Pharos Ligand ID:NXK1Y28B6U1V
ChEMBL ID:CHEMBL24526

Synonyms:UNII-MD4F688MJ9;CHEMBL24526;MD4F688MJ9;L374943;L-374943;1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one;221284-06-6;2H-3,1-Benzoxazin-2-one, 1-(1-(2-(4-((1-acetyl-4-piperidinyl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)-4-piperidinyl)-1,4-dihydro-;Piperidine, 1-acetyl-4-(4-(2-oxo-2-(4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1-piperidinyl)ethyl)-3-(2,2,2-trifluoroethoxy)phenoxy)-;SCHEMBL8081394;BDBM50077032;L018762;1-(1-(4-(1-acetyl-4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)-phenyl-acetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one;1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Suppliers and Price of Unii-MD4F688MJ9

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

Total 0 raw suppliers

Chemical Property of Unii-MD4F688MJ9

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:589.23997030
Heavy Atom Count:42
Complexity:951

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)CC(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)OCC(F)(F)F

Technology Process of Unii-MD4F688MJ9

There total 9 articles about Unii-MD4F688MJ9 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: 95.0%

: 108-24-7
acetic anhydride

: 221285-11-6
1-(1-(4-(4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)phenylacetyl)-piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one

: 221284-06-6
1-(1-(4-(1-acetyl-4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)-phenyl-acetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane;
DOI:10.1016/S0960-894X(99)00181-X

Reference yield:

: 1-(1-(4-(4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)phenylacetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one hydrochloride

: 221285-11-6
1-(1-(4-(4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)phenylacetyl)-piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one

: 221284-06-6
1-(1-(4-(1-acetyl-4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)-phenyl-acetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one

Guidance literature:: With acetic anhydride; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate;

Reference yield:

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 221284-06-6
1-(1-(4-(1-acetyl-4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)-phenyl-acetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one

Guidance literature:: Multi-step reaction with 7 steps

1: diethyl azodicarboxylate, Ph₃P / tetrahydrofuran

2: Cs₂CO₃ / dimethylformamide

3: 1.) Tl(NO₃)3, 2.) Boc₂O, DIEA / 1.) MeOH, 2.) DMF

4: aq. NaOH / methanol

5: EDC, HOBT, i-Pr₂NEt / dimethylformamide

6: 95 percent / HCl (gas) / ethyl acetate

7: 95 percent / DIEA / CH₂Cl₂

With hydrogenchloride; sodium hydroxide; di-tert-butyl dicarbonate; benzotriazol-1-ol; caesium carbonate; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; triphenylphosphine; thallium(III) nitrate; diethylazodicarboxylate; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(99)00181-X