4-Benzyloxygramine

Base Information

• Chemical Name: 4-Benzyloxygramine
• CAS No.: 13523-95-0
• Molecular Formula: C18H20N2O
• Molecular Weight: 280.37
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00543982
• Wikidata: Q82420954
• Mol file: 13523-95-0.mol

Synonyms:4-Benzyloxygramine;13523-95-0;N,N-Dimethyl-4-(phenylmethoxy)-1H-indole-3-methanamine;1-(4-(Benzyloxy)-1H-indol-3-yl)-N,N-dimethylmethanamine;N,N-dimethyl-1-(4-phenylmethoxy-1H-indol-3-yl)methanamine;{[4-(BENZYLOXY)-1H-INDOL-3-YL]METHYL}DIMETHYLAMINE;1-[4-(Benzyloxy)-1H-indol-3-yl]-N,N-dimethylmethanamine;SCHEMBL7366247;DTXSID00543982

Chemical Property of 4-Benzyloxygramine

Chemical Property:

• PSA: 28.26000
• LogP: 3.80850
• Solubility.: DMSO, Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 280.157563266
• Heavy Atom Count: 21
• Complexity: 314

Purity/Quality:

98%Min ^*data from raw suppliers

4-Benzyloxygramine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CNC2=C1C(=CC=C2)OCC3=CC=CC=C3
• Uses: A A benzyloxyindole derivative, also an intermediate in the synthesis of the neurotransmitter agonist 4-Hydroxytryptamine Creatinine

Technology Process of 4-Benzyloxygramine

There total 8 articles about 4-Benzyloxygramine 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: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-benzyloxy-1H-indole (20289-26-3) + dimethyl amine (124-40-3) → 4-benzyloxy-3-dimethylaminomethylindole (13523-95-0)

Guidance literature:

In water; acetic acid;

DOI:10.1016/S0040-4020(01)81803-2

Reference yield:

1H-indol-4-ol (2380-94-1) → 4-benzyloxy-3-dimethylaminomethylindole (13523-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: acetic acid; methanol

With potassium carbonate; In methanol; acetic acid; acetone;

DOI:10.1016/0040-4039(96)01583-3

Reference yield:

benzyl bromide (100-39-0) → 4-benzyloxy-3-dimethylaminomethylindole (13523-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: acetic acid; methanol

With potassium carbonate; In methanol; acetic acid; acetone;

DOI:10.1016/0040-4039(96)01583-3

upstream raw materials:

formaldehyd

4-benzyloxy-1H-indole

dimethyl amine

1H-indol-4-ol

Downstream raw materials:

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

4-benzyloxyindole-3-acetonitrile

2-(4-(benzyloxy)-1H-indol-3-yl)ethanamine

25-<4-benzyloxy-1H-indol-3-yl>-2,2-dimethyl-4,24-dioxo-3-oxa-5,9,13,17,23-pentaazapentacosane-9,13-dicarboxylic acid bis(1,1-dimethylethyl) ester