7-Hydroxyetodolac

Base Information

Chemical Name:7-Hydroxyetodolac
CAS No.:101901-07-9
Molecular Formula:C₁₇H₂₁NO₄
Molecular Weight:303.358
Hs Code.:
UNII:2AP8GSV2ZD
ChEMBL ID:CHEMBL875
Nikkaji Number:J357.716C
Mol file:101901-07-9.mol

Synonyms:7-HYDROXYETODOLAC;PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1,8-DIETHYL-1,3,4,9-TETRAHYDRO-7-HYDROXY-;Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-7-hydroxy-;7-Hydroxy Etodolac;CHEMBL875;RAK-902;PD164075;NS00116642;2-(1,8-Diethyl-7-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

Suppliers and Price of 7-Hydroxyetodolac

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 2 raw suppliers

Chemical Property of 7-Hydroxyetodolac

Chemical Property:

Vapor Pressure:1.66E-10mmHg at 25°C
Boiling Point:497.1°C at 760 mmHg
Flash Point:254.5°C
PSA：82.55000
Density:1.237g/cm³
LogP:3.08860
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:303.14705815
Heavy Atom Count:22
Complexity:429

Purity/Quality:: HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C=CC2=C1NC3=C2CCOC3(CC)CC(=O)O)O
Uses 7-Hydroxy Etodolac is a metabolite of the nonsteroidal anti-inflammatory drug etodolac found in the human urine.

Technology Process of 7-Hydroxyetodolac

There total 9 articles about 7-Hydroxyetodolac 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: 96.0%

: 114274-22-5
methyl 1,8-diethyl-7-hydroxy-1,3,4,9-tetrahydropyrano-<3,4-b>indole-1-acetate

: 101901-07-9
1,8-diethyl-7-hydroxy-1,3,4,9-tetrahydropyrano<3,4-b>indole-1-acetic acid

Guidance literature:: With potassium carbonate; In methanol; water; at 50 ℃; for 8h;
DOI:10.1021/jo00247a037

Reference yield:

: 114274-15-6
2-ethyl-3-methoxyaniline hydrochloride

: 101901-07-9
1,8-diethyl-7-hydroxy-1,3,4,9-tetrahydropyrano<3,4-b>indole-1-acetic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 90 percent / pyridine / 1 h / Ambient temperature

2: PCl₅ / CH₂Cl₂ / 0.5 h / 0 °C

3: SnCl₄ / CH₂Cl₂ / 16 h / Ambient temperature

4: 89 percent / lithium iodide, 85percent H₃PO₄ / dimethylformamide / 8 h / 160 °C

5: 1.) lithium bis(trimethylsilyl)amide / 1.) THF, -78 deg C, 2.) RT

6: 68 percent / lithium aluminium hydride / tetrahydrofuran / 2 h / Heating

7: 79 percent / BF₃*Et₂O / tetrahydrofuran; CH₂Cl₂ / 6 h / Ambient temperature

8: 96 percent / potassium carbonate / H₂O; methanol / 8 h / 50 °C

With lithium aluminium tetrahydride; phosphoric acid; phosphorus pentachloride; boron trifluoride diethyl etherate; tin(IV) chloride; potassium carbonate; lithium iodide; lithium hexamethyldisilazane; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo00247a037

Reference yield:

: 114274-19-0
6-hydroxy-7-ethylisatin

: 101901-07-9
1,8-diethyl-7-hydroxy-1,3,4,9-tetrahydropyrano<3,4-b>indole-1-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) lithium bis(trimethylsilyl)amide / 1.) THF, -78 deg C, 2.) RT

2: 68 percent / lithium aluminium hydride / tetrahydrofuran / 2 h / Heating

3: 79 percent / BF₃*Et₂O / tetrahydrofuran; CH₂Cl₂ / 6 h / Ambient temperature

4: 96 percent / potassium carbonate / H₂O; methanol / 8 h / 50 °C

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; potassium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1021/jo00247a037