Gramine, N-oxide

Base Information

• Chemical Name: Gramine, N-oxide
• CAS No.: 17206-03-0
• Molecular Formula: C11H14 N2 O
• Molecular Weight: 190.245
• Hs Code.: 2933990090
• NSC Number: 24939
• DSSTox Substance ID: DTXSID50938086
• Nikkaji Number: J2.821.343C
• Mol file: 17206-03-0.mol

Synonyms:GRAMINE, N-OXIDE;17206-03-0;1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide;NSC24939;DTXSID50938086;NSC-24939;(1H-Indol-3-yl)-N,N-dimethylmethanamine N-oxide

Chemical Property of Gramine, N-oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.16000
• Density: g/cm³
• LogP: 2.18610
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CC1=CNC2=CC=CC=C21)[O-]

Technology Process of Gramine, N-oxide

There total 1 articles about Gramine, N-oxide 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:

3-(Dimethylaminomethyl)indole (87-52-5) → 1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide (17206-03-0)

Guidance literature:

With ethanol; dihydrogen peroxide;

DOI:10.1021/ja01576a051

Reference yield: 71.0%

1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide (17206-03-0) → 3-(Dimethylaminomethyl)indole (87-52-5)

Guidance literature:

In N,N-dimethyl-formamide; for 2h; Microwave irradiation;

DOI:10.1007/s10600-017-1982-7

Reference yield: 66.0%

1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide (17206-03-0) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 3-(Dimethylaminomethyl)indole (87-52-5) + 1-(1H-indol-3-ylmethyl)pyrimidine-2,4(1H,3H)-dione (42485-13-2)

Guidance literature:

In N,N-dimethyl-formamide; for 2h; Microwave irradiation;

DOI:10.1007/s10600-017-1982-7

upstream raw materials:

3-(Dimethylaminomethyl)indole

Downstream raw materials:

3-(2-nitroethyl)indole

indole-3-carbinol

3-(Dimethylaminomethyl)indole

1-(1H-indol-3-ylmethyl)pyrimidine-2,4(1H,3H)-dione