Aplindore fumarate

Base Information

Chemical Name:Aplindore fumarate
CAS No.:189681-71-8
Molecular Formula:C22H22N2O7
Molecular Weight:426.4193
Hs Code.:
UNII:P13TV5A758
NCI Thesaurus Code:C76649
ChEMBL ID:CHEMBL2104864

Synonyms:(S)-2-(benzylamino-methyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino(2,3-e)indol-8-one fumarate;aplindore fumarate;DAB-452

Suppliers and Price of Aplindore fumarate

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 1 raw suppliers

Chemical Property of Aplindore fumarate

Chemical Property:

Vapor Pressure:1.38E-10mmHg at 25°C
Boiling Point:511.7°Cat760mmHg
Flash Point:263.3°C
Density:g/cm³
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:426.14270105
Heavy Atom Count:31
Complexity:544

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC2=C(O1)C=CC3=C2CC(=O)N3)CNCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O
Isomeric SMILES:C1[C@@H](OC2=C(O1)C=CC3=C2CC(=O)N3)CNCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

Technology Process of Aplindore fumarate

There total 15 articles about Aplindore fumarate 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: 84.0%

: 1064662-91-4
(2S)-2-[(benzylamino)methyl]-2,3,8,9-tetrahydro-7H-[1,4]dioxino[2,3-e]indol-8-one 4-methylbenzenesulfonate

: 110-17-8,26099-09-2
(2E)-but-2-enedioic acid

: 189681-71-8
Aplindore fumarate

Guidance literature:: (2S)-2-[(benzylamino)methyl]-2,3,8,9-tetrahydro-7H-[1,4]dioxino[2,3-e]indol-8-one 4-methylbenzenesulfonate; With sodium hydroxide; In 2-methyltetrahydrofuran; water; pH=10;

(2E)-but-2-enedioic acid; In ethanol; at 75 - 80 ℃; Inert atmosphere;

Reference yield:

: 189681-70-7,189683-28-1
(S)-2-(benzylamino-methyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino(2,3-e]indol-8-one

: 110-17-8,26099-09-2
(2E)-but-2-enedioic acid

: 189681-71-8
Aplindore fumarate

Guidance literature:: In ethanol; at 70 ℃;

Reference yield:

: 636-93-1
5-nitroguaiacol

: 189681-71-8
Aplindore fumarate

Guidance literature:: Multi-step reaction with 10 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / Inert atmosphere

1.2: 18 h / 70 °C

2.1: sodium hydroxide / dimethyl sulfoxide / 15 h / 95 °C / Industry scale

2.2: 20 °C / pH 1

2.3: 40 °C

3.1: N,N-dimethyl-formamide / 18 h / 65 °C / Industry scale

4.1: cyclohexa-1,4-diene; sodium hydrogencarbonate / palladium 10% on activated carbon / ethanol / 1 h / 60 °C / Inert atmosphere

5.1: potassium tert-butylate / N,N-dimethyl-formamide / 0 °C

6.1: hydrogenchloride; water / 110 °C

7.1: hydrogen; sodium hydroxide / palladium 10% on activated carbon / 3 h / 2585.81 Torr

7.2: 7 h / 65 °C

8.1: pyridine / toluene / 8 h / 30 °C

9.1: dimethyl sulfoxide / 18 h / 85 °C / Inert atmosphere

10.1: ethanol / 70 °C

With pyridine; hydrogenchloride; cyclohexa-1,4-diene; potassium tert-butylate; water; hydrogen; sodium hydrogencarbonate; potassium carbonate; sodium hydroxide; palladium 10% on activated carbon; In ethanol; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene;