7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline

Base Information

• Chemical Name: 7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline
• CAS No.: 177858-80-9
• Molecular Formula: C₁₁H₁₁FN₂
• Molecular Weight: 190.22
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID10567896
• Wikidata: Q82453941
• Mol file: 177858-80-9.mol

Synonyms:177858-80-9;7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline;7-Fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-Fluoro-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole;7-fluoro-1H,2H,3H,4H,9H-pyrido[3,4-b]indole;MFCD09264527;7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline, 95+per cent;SCHEMBL1798176;DTXSID10567896;OTGGOPSBNVEBDA-UHFFFAOYSA-N;CHA85880;TQ0171;AKOS005254728;MS-22703;EN300-741430;G23681;J-519245

Chemical Property of 7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline

Chemical Property:

• Melting Point: 216-224℃
• PSA: 27.82000
• LogP: 2.28150
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.09062652
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

7-Fluoro-2,3,4,9-tetrahydro-1H-β-carboline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C3=C(N2)C=C(C=C3)F

Technology Process of 7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline

There total 5 articles about 7-Fluoro-2,3,4,9-tetrahydro-1H-beta-carboline 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: 79.0%

7-fluoro-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylic acid (783349-33-7) → 7-fluoro-2,3,4,9-tetrahydro-1H-pyridino[3,4-b]indole (177858-80-9)

Guidance literature:

7-fluoro-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylic acid; With hydrogenchloride; In water; for 16h; Heating / reflux;

With potassium carbonate; In methanol; water; at 20 ℃; pH=9;

Reference yield: 68.0%

6-fluorotryptamine (575-85-9) + Glyoxilic acid (298-12-4) → 7-fluoro-2,3,4,9-tetrahydro-1H-pyridino[3,4-b]indole (177858-80-9)

Guidance literature:

6-fluorotryptamine; With hydrogenchloride; In tetrahydrofuran; ethyl acetate; at 20 ℃;

Glyoxilic acid; With potassium hydroxide; In water; at 80 ℃; for 1.5h;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield: 64.0%

→ 7-fluoro-2,3,4,9-tetrahydro-1H-pyridino[3,4-b]indole (177858-80-9)

Guidance literature:

With sodium acetate; acetic acid; In water; at 110 ℃; for 12h;

upstream raw materials:

7-fluoro-2,3,4,9-tetrahydro-1H-β-carboline-1-carboxylic acid

6-fluorotryptamine

Glyoxilic acid

6-fluoro-1H-indole

Downstream raw materials:

(1S,2R,3R)-1-(7-fluoro-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-2-sulfonylamino)-2-methyl-3-phenylcyclopropane-1-carboxylic acid

Refernces

• 1、 -. "Aromatic heterocyclic derivative and application thereof in medicine". Paragraph 0517; 0519-0520. . Retrieved 2020/02/08.
• 2、 -. "Beta-carbolines useful for treating inflammatory disease". Page/Page column 87. . Retrieved 2010/02/14.