4-Fluoro-N-(BOC)indole

Base Information

• Chemical Name: 4-Fluoro-N-(BOC)indole
• CAS No.: 129822-45-3
• Molecular Formula: C13H14FNO2
• Molecular Weight: 235.25400
• DSSTox Substance ID: DTXSID50563251
• Nikkaji Number: J416.463F
• Wikidata: Q82447638
• Mol file: 129822-45-3.mol

Synonyms:4-Fluoro-N-(BOC)indole;129822-45-3;tert-butyl 4-fluoro-1H-indole-1-carboxylate;tert-butyl 4-fluoroindole-1-carboxylate;4-Fluoro-N-Boc-indole;1-Boc-4-fluoro-1H-indole;MFCD18782887;4-Fluoro-N-(BOC)-indole;SCHEMBL2878283;DTXSID50563251;HWVFAXLKBJQDMB-UHFFFAOYSA-N;1H-Indole-1-carboxylic acid, 4-fluoro-, 1,1-dimethylethyl ester;AKOS015950339;4-Fluoro-1-(tert-butyloxycarbonyl)indole;BS-14906;SY318955;tert-butyl4-fluoro-1H-indole-1-carboxylate;CS-0060911;4-fluoro-indole-1-carboxylic acid tert-butyl ester;W-205319

Chemical Property of 4-Fluoro-N-(BOC)indole

Chemical Property:

• PSA: 31.23000
• LogP: 3.56360
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.10085685
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%Min ^*data from raw suppliers

4-Fluoro-N-(Boc)indole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2F

Technology Process of 4-Fluoro-N-(BOC)indole

There total 9 articles about 4-Fluoro-N-(BOC)indole 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: 97.0%

→ tert-butyl 4-fluoro-1H-indole-1-carboxylate (129822-45-3)

Guidance literature:

Reference yield: 96.0%

4-fluoroindole (387-43-9) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 4-fluoro-1H-indole-1-carboxylate (129822-45-3)

Guidance literature:

With dmap; In tetrahydrofuran; at 20 ℃;

Reference yield: 85.0%

(1-(tert-butoxycarbonyl)-4-fluoro-1H-indol-2-yl) boronic acid (1000068-25-6) + 6-chloro-2-iodopyridine-3-ol (188057-26-3) → 6-chloro-2-(4-fluoro-1H-indol-2-yl)pyridin-3-ol (1426942-84-8) + tert-butyl 4-fluoro-1H-indole-1-carboxylate (129822-45-3)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; sodium carbonate; In tetrahydrofuran; water; at 70 ℃; for 12h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.oprd.5b00405

upstream raw materials:

4-Fluoro-2-hydroxy-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester

4-fluoroindole

di-tert-butyl dicarbonate

3-fluoro-2-methylaniline

Downstream raw materials:

(1-(tert-butoxycarbonyl)-4-fluoro-1H-indol-2-yl) boronic acid

2-chloro-11-fluoro-6-phenyl-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indole

2-(3-(benzyloxy)-6-chloropyridin-2-yl)-4-fluoro-1H-indole

6-(2-(benzyloxy)ethyl)-2-chloro-11-fluoro-12,12a-dihydro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indole