2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide

Base Information

Chemical Name:2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide
CAS No.:186551-04-2
Molecular Formula:C₂₅H₂₃N₃O₄S
Molecular Weight:461.541
Hs Code.:
DSSTox Substance ID:DTXSID801117602

Synonyms:SCHEMBL2329170;NVCYUTUFPGPAKI-QHCPKHFHSA-N;DTXSID801117602;2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide;186551-04-2;N-[(3S)-1-[(3-Cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-2'-methoxy[1,1'-biphenyl]-4-sulfonamide

Suppliers and Price of 2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:461.14092740
Heavy Atom Count:33
Complexity:824

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC(=CC=C4)C#N
Isomeric SMILES:COC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC(=CC=C4)C#N

Technology Process of 2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide

There total 5 articles about 2'-Methoxybiphenyl-4-sulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]amide 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:

: 578-57-4
2-bromoanisole

: 186551-04-2
2'-Methoxy-biphenyl-4-sulfonic acid [(S)-1-(3-cyano-benzyl)-2-oxo-pyrrolidin-3-yl]-amide

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran / 0.25 h / -78 °C

1.2: ZnCl₂ / tetrahydrofuran; diethyl ether / 3 h / 20 °C

1.3: tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran; diethyl ether / 16 h

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 °C

2.2: SO₂ / tetrahydrofuran; diethyl ether; hexane / 2.5 h / -78 - 20 °C

2.3: 0.34 g / SO₂Cl₂ / hexane; CH₂Cl₂ / 1 h / 0 °C

3.1: Et₃N / CH₂Cl₂ / 2 h

With n-butyllithium; triethylamine; In tetrahydrofuran; hexane; dichloromethane; 1.1: Metallation / 1.2: Metallation / 1.3: Substitution / 2.1: Metallation / 2.2: sulfination / 2.3: Chlorination / 3.1: Condensation;
DOI:10.1021/jm990040h

Reference yield:

: 589-87-7
1,4-bromoiodobenzene

: 186551-04-2
2'-Methoxy-biphenyl-4-sulfonic acid [(S)-1-(3-cyano-benzyl)-2-oxo-pyrrolidin-3-yl]-amide

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran / 0.25 h / -78 °C

1.2: ZnCl₂ / tetrahydrofuran; diethyl ether / 3 h / 20 °C

1.3: tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran; diethyl ether / 16 h

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 °C

2.2: SO₂ / tetrahydrofuran; diethyl ether; hexane / 2.5 h / -78 - 20 °C

2.3: 0.34 g / SO₂Cl₂ / hexane; CH₂Cl₂ / 1 h / 0 °C

3.1: Et₃N / CH₂Cl₂ / 2 h

With n-butyllithium; triethylamine; In tetrahydrofuran; hexane; dichloromethane; 1.1: Metallation / 1.2: Metallation / 1.3: Substitution / 2.1: Metallation / 2.2: sulfination / 2.3: Chlorination / 3.1: Condensation;
DOI:10.1021/jm990040h

Reference yield:

: 169691-87-6
4’-bromo-2-methoxy-1,1'-biphenyl

: 186551-04-2
2'-Methoxy-biphenyl-4-sulfonic acid [(S)-1-(3-cyano-benzyl)-2-oxo-pyrrolidin-3-yl]-amide

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 °C

1.2: SO₂ / tetrahydrofuran; diethyl ether; hexane / 2.5 h / -78 - 20 °C

1.3: 0.34 g / SO₂Cl₂ / hexane; CH₂Cl₂ / 1 h / 0 °C

2.1: Et₃N / CH₂Cl₂ / 2 h

With n-butyllithium; triethylamine; In tetrahydrofuran; hexane; dichloromethane; 1.1: Metallation / 1.2: sulfination / 1.3: Chlorination / 2.1: Condensation;
DOI:10.1021/jm990040h