3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile

Base Information

• Chemical Name: 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile
• CAS No.: 888328-94-7
• Molecular Formula: C₄₁H₄₇NO
• Molecular Weight: 569.83
• Mol file: 888328-94-7.mol

Synonyms:3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile

Chemical Property of 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile

There total 10 articles about 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile 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: 71.0%

(3-benzyl-4-methoxy-phenyl)-tributyl-stannane + trifluoro-methanesulfonic acid 7-[4-(2-cyano-ethyl)-2-isobutyl-phenyl]-3-isobutyl-5-methyl-indan-4-yl ester → 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile (888328-94-7)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; lithium chloride; copper(I) bromide; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 160 ℃; for 3h;

DOI:10.1021/ol052956q

Reference yield:

1-isobutyl-7-methoxy-6-methyl-indan (888328-89-0) → 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile (888328-94-7)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 90 percent / acetic acid; NBS / 2 h / 85 °C

2.1: n-BuLi / tetrahydrofuran / 0.5 h / -75 °C

2.2: tetrahydrofuran / 24 h / 20 °C

2.3: NaOH / H₂O / 1 h

3.1: 0.30 g / Cs₂CO₃ / Pd(PPh₃)4 / dimethylformamide; H₂O / 2 h / 120 °C

4.1: BBr₃ / CH₂Cl₂ / 4 h / 15 °C

5.1: 0.21 g / triethylamine / CH₂Cl₂ / 0.5 h / -20 °C

6.1: 71 percent / CuBr; anhydrous LiCl; 2,6-di-tert-butyl-4-methylphenol / PdCl₂(PPh₃)2 / dimethylformamide / 3 h / 160 °C

With N-Bromosuccinimide; n-butyllithium; 2,6-di-tert-butyl-4-methyl-phenol; boron tribromide; caesium carbonate; acetic acid; triethylamine; lithium chloride; copper(I) bromide; bis-triphenylphosphine-palladium(II) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; 3.1: Suzuki coupling;

DOI:10.1021/ol052956q

Reference yield:

3-[3-isobutyl-4-(1-isobutyl-7-methoxy-6-methyl-indan-4-yl)-phenyl]-propionitrile (888328-91-4) → 3-{4-[7-(3-benzyl-4-methoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile (888328-94-7)

Guidance literature:

Multi-step reaction with 3 steps

1: BBr₃ / CH₂Cl₂ / 4 h / 15 °C

2: 0.21 g / triethylamine / CH₂Cl₂ / 0.5 h / -20 °C

3: 71 percent / CuBr; anhydrous LiCl; 2,6-di-tert-butyl-4-methylphenol / PdCl₂(PPh₃)2 / dimethylformamide / 3 h / 160 °C

With 2,6-di-tert-butyl-4-methyl-phenol; boron tribromide; triethylamine; lithium chloride; copper(I) bromide; bis-triphenylphosphine-palladium(II) chloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ol052956q

upstream raw materials:

1-isobutyl-7-methoxy-6-methyl-indan

4-bromo-1-isobutyl-7-methoxy-6-methyl-indan

3-[3-isobutyl-4-(1-isobutyl-7-methoxy-6-methyl-indan-4-yl)-phenyl]-propionitrile

6-Methyl-7-methoxy-1-indanon

Downstream raw materials:

3-{4-[7-(3-benzyl-4-cyanomethoxy-phenyl)-1-isobutyl-6-methyl-indan-4-yl]-3-isobutyl-phenyl}-propionitrile