{4-[5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester

Base Information

• Chemical Name: {4-[5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester
• CAS No.: 198479-82-2
• Molecular Formula: C₄₀H₃₇NO₅
• Molecular Weight: 611.737
• DSSTox Substance ID: DTXSID60402248
• Wikidata: Q82205627

Synonyms:{4-[5-BENZYLOXY-2-(4-BENZYLOXY-PHENYL)-3-METHYL-INDOL-1-YLMETHYL]-PHENOXY}-ACETIC ACID ETHYL ESTER;SCHEMBL4151712;DTXSID60402248;198479-82-2

Chemical Property of {4-[5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester

Chemical Property:

• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 611.26717328
• Heavy Atom Count: 46
• Complexity: 886

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2C5=CC=C(C=C5)OCC6=CC=CC=C6)C

Technology Process of {4-[5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester

There total 10 articles about {4-[5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester 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: 59.0%

ethyl [p-(chloromethyl)phenoxy]acetate (80494-75-3) + 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole (198479-63-9) → {4-[5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester (198479-82-2)

Guidance literature:

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.333333h;

ethyl [p-(chloromethyl)phenoxy]acetate; In N,N-dimethyl-formamide; at 20 ℃; for 18h; Further stages.;

DOI:10.1021/jm010086m

Reference yield:

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9) + C24H25NO4 → {4-[5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester (198479-82-2)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 120 ℃; for 6h;

Reference yield:

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole (198479-63-9) → {4-[5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-indol-1-ylmethyl]-phenoxy}-acetic acid ethyl ester (198479-82-2)

Guidance literature:

In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

ethyl [p-(chloromethyl)phenoxy]acetate

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

4-benzyloxyaniline hydrochloride

ethyl 2-(4-hydroxymethylphenoxy)acetate

Downstream raw materials:

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1H-indole

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1H-indole

5-benzyloxy-2-(4-benzyloxy-phenyl)-1-[4-(2-bromo-ethoxy)-benzyl]-3-methyl-1H-indole

bazedoxifene

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