Salvadoricine

Base Information

• Chemical Name: Salvadoricine
• CAS No.: 16244-23-8
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• Hs Code.: 2933990090
• Mol file: 16244-23-8.mol

Synonyms:Ketone,methyl 3-methylindol-2-yl;Ethanone,1-(3-methyl-1H-indol-2-yl);2-acetyl-3-methylindole;salvadoricine;3-methylindol-2-yl methyl ketone;1-(3-methyl-indol-2-yl)-ethanone;1-(3-Methyl-indol-2-yl)-aethanon;1-(3-methyl-1H-2-indolyl)ethanone;

Chemical Property of Salvadoricine

Chemical Property:

• Melting Point: 146.5 °C
• Boiling Point: 340.3±22.0 °C(Predicted)
• PKA: 15.09±0.30(Predicted)
• PSA: 32.86000
• Density: 1.157±0.06 g/cm3(Predicted)
• LogP: 2.67890

Purity/Quality:

99%, ^*data from raw suppliers

1-(3-METHYL-1H-INDOL-2-YL)ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Salvadoricine

There total 22 articles about Salvadoricine 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: 93.0%

3-Methylindole (83-34-1) + acetic anhydride (108-24-7) → 2-acetyl-3-methylindole (16244-23-8)

Guidance literature:

With boron trifluoride diethyl etherate; acetic acid; for 0.5h;

Reference yield: 85.0%

formic acid (64-18-6) + methyl 2-ethyl-3-oxobutanoate (51756-08-2) + benzene diazonium chloride (100-34-5) → 2-acetyl-3-methylindole (16244-23-8)

Guidance literature:

methyl 2-ethyl-3-oxobutanoate; benzene diazonium chloride; With potassium hydroxide; In ethanol; water; at 0 - 20 ℃;

formic acid; In ethanol; water; Reflux;

DOI:10.1002/chem.201201668

Reference yield: 80.0%

(2-acetyl-3-indolyl)acetic acid (91569-49-2) → 2-acetyl-3-methylindole (16244-23-8)

Guidance literature:

In various solvent(s); at 156 ℃; for 96h;

upstream raw materials:

3-Methylindole

acetic anhydride

acetyl chloride

pentane-2,3-dione-3-phenylhydrazone

Downstream raw materials:

3-Methylindole

Refernces

• 1、 Jones,C.F. et al.. "-". . p. 957 - 961. Retrieved 1974.
• 2、 Cauzzo,Jori. "-". . p. 1429,1430,1432. Retrieved 1972.
• 3、 Ji, Xinjian,Li, Yongzhen,Jia, Youli,Ding, Wei,Zhang, Qi. "Mechanistic Insights into the Radical S-adenosyl- l -methionine Enzyme NosL from a Substrate Analogue and the Shunt Products". supporting information. p. 3334 - 3337. Retrieved 2016/03/22.
• 4、 Amat, Mercedes,Subrizi, Fabiana,Elias, Viviane,Llor, Nuria,Molins, Elies,Bosch, Joan. "Cyclocondensation reactions between 2-acyl-3-indoleacetic acid derivatives and phenylglycinol: Enantioselective synthesis of 1-substituted tetrahydro-β-carboline alkaloids". scheme or table. p. 1835 - 1842. Retrieved 2012/05/05.