ABT 239 tartrate

Base Information

Chemical Name:ABT 239 tartrate
CAS No.:460748-71-4
Molecular Formula:C22H22N2O.C4H6O6
Molecular Weight:480.51000
Hs Code.:
DSSTox Substance ID:DTXSID40458586
Mol file:460748-71-4.mol

Synonyms:ABT 239 tartrate;460748-71-4;ABT-239 Tartrate;(2R,3R)-2,3-dihydroxybutanedioic acid;4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile;4-[2-[2-[(2R)-2-Methyl-1-pyrrolidinyl]ethyl]-5-benzofuranyl]benzonitrile tartrate;DTXSID40458586;E98903;4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile tartrate;(2R,3R)-2,3-Dihydroxybutanedioic acid--4-(2-{2-[(2R)-2-methylpyrrolidin-1-yl]ethyl}-1-benzofuran-5-yl)benzonitrile (1/1)

Suppliers and Price of ABT 239 tartrate

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 5 raw suppliers

Chemical Property of ABT 239 tartrate

Chemical Property:

Melting Point:166-167℃
PSA：155.23000
LogP:2.81358
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:480.18965124
Heavy Atom Count:35
Complexity:623

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILES:C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Technology Process of ABT 239 tartrate

There total 6 articles about ABT 239 tartrate 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: 70.0%

: 87-69-4,138508-61-9
L-Tartaric acid

: 460746-46-7
4-{2-[2-(2R-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile

: 460748-71-4
4-{2-[2-((R)-2-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile L-tartrate

Guidance literature:: 4-{2-[2-(2R-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile; In ethanol; Isopropyl acetate; at 65 ℃; Inert atmosphere; Large scale;

L-Tartaric acid; In ethanol; Isopropyl acetate; at 65 ℃; for 1h; Inert atmosphere; Large scale;
DOI:10.1021/op049809c

Reference yield: 32.0%

: 87-69-4,138508-61-9
L-Tartaric acid

: 126747-14-6
4-cyanophenylboronic acid

: 460748-22-5
1-[2-(5-bromo-1-benzofuran-2-yl)ethyl]-2(R)-methylpyrrolidine

: 460748-71-4
4-{2-[2-((R)-2-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile L-tartrate

Guidance literature:: 4-cyanophenylboronic acid; 1-[2-(5-bromo-1-benzofuran-2-yl)ethyl]-2(R)-methylpyrrolidine; With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; CyJohnPhos; In 1,2-dimethoxyethane; water; at 80 ℃; for 5h;

L-Tartaric acid;

Reference yield:

: 460746-47-8
4'-hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile

: 460748-71-4
4-{2-[2-((R)-2-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl}benzonitrile L-tartrate

Guidance literature:: Multi-step reaction with 4 steps

1.1: palladium diacetate; copper(l) iodide; diisopropylamine; triphenylphosphine / Isopropyl acetate / 40 h / 45 °C / Inert atmosphere

2.1: dmap; triethylamine / acetonitrile / 6 h / 25 °C / Inert atmosphere; Large scale

3.1: potassium carbonate / acetonitrile / 48 h / 60 °C / Inert atmosphere; Large scale

3.2: 36 h / 25 - 60 °C / Inert atmosphere; Large scale

4.1: ethanol; Isopropyl acetate / 65 °C / Inert atmosphere; Large scale

4.2: 1 h / 65 °C / Inert atmosphere; Large scale

With dmap; copper(l) iodide; palladium diacetate; potassium carbonate; triethylamine; diisopropylamine; triphenylphosphine; In ethanol; Isopropyl acetate; acetonitrile;
DOI:10.1021/op049809c