4-Benzyloxyindole-3-acetone

Base Information

• Chemical Name: 4-Benzyloxyindole-3-acetone
• CAS No.: 113997-55-0
• Molecular Formula: C18H17 N O2
• Molecular Weight: 279.33308
• DSSTox Substance ID: DTXSID70555577
• Wikidata: Q82436967
• Mol file: 113997-55-0.mol

Synonyms:4-Benzyloxyindole-3-acetone;113997-55-0;1-(4-phenylmethoxy-1H-indol-3-yl)propan-2-one;1-(4-(Benzyloxy)-1H-indol-3-yl)propan-2-one;1-[4-(Benzyloxy)-1H-indol-3-yl]propan-2-one;DTXSID70555577;B-1788

Chemical Property of 4-Benzyloxyindole-3-acetone

Chemical Property:

• PSA: 42.09000
• LogP: 3.87840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 279.125928785
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

98%Min ^*data from raw suppliers

4-BENZYLOXYINDOLE-3-ACETONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CNC2=C1C(=CC=C2)OCC3=CC=CC=C3

Technology Process of 4-Benzyloxyindole-3-acetone

There total 1 articles about 4-Benzyloxyindole-3-acetone 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:

1-<4-(benzyloxy)indol-3-yl>-2-nitropropane (2873-49-6) → 1-<4-(benzyloxy)indol-3-yl>-2-propanone (113997-55-0)

Guidance literature:

With titanium(III) chloride; ammonium acetate; sodium methylate; Yield given. Multistep reaction; 1) CH₃OH, 30 min, room temperature; 2) room temperature, 12 h;

DOI:10.1021/jm00402a026

Reference yield: 44.0%

(R)-1-phenyl-ethyl-amine (3886-69-9) + 1-<4-(benzyloxy)indol-3-yl>-2-propanone (113997-55-0) → (R,S)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane (113997-76-5) + (R,R)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane (113997-74-3)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; for 24h; Ambient temperature; pH 5 - 6;

DOI:10.1021/jm00402a026

Reference yield: 35.0%

(S)-1-phenyl-ethylamine (2627-86-3) + 1-<4-(benzyloxy)indol-3-yl>-2-propanone (113997-55-0) → (S,S)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane (113997-75-4) + (S,R)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane (113997-77-6)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; for 24h; Ambient temperature; pH 5 - 6;

DOI:10.1021/jm00402a026

upstream raw materials:

1-<4-(benzyloxy)indol-3-yl>-2-nitropropane

Downstream raw materials:

(S,S)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane

(S,R)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane

(R,S)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane

(R,R)-N-α-phenetyl-1-<4-(benzyloxy)indol-3-yl>-2-aminopropane

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