5-Fluoroindoline

Base Information

• Chemical Name: 5-Fluoroindoline
• CAS No.: 2343-22-8
• Molecular Formula: C8H8 F N
• Molecular Weight: 137.157
• Hs Code.: 2933990090
• European Community (EC) Number: 671-183-8
• DSSTox Substance ID: DTXSID20379043
• Nikkaji Number: J2.142.052B
• Wikidata: Q72480206
• Mol file: 2343-22-8.mol

Synonyms:5-fluoroindoline;2343-22-8;5-fluoro-2,3-dihydro-1H-indole;5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE;1H-Indole, 5-fluoro-2,3-dihydro-;5-Fluoro-2,3-dihydroindole;5-fluoro-indoline;2,3-Dihydro-5-fluoro-1H-indole;Peakdale1_000398;5-Fluoroindoline, 97%;SCHEMBL549063;HMS519C02;DTXSID20379043;5-fluoro-2,3-dihydro-1H-indol;NXQRMQIYCWFDGP-UHFFFAOYSA-N;5-fluoro-2,3-dihydro--1H-indole;AMY15289;5-fluoranyl-2,3-dihydro-1H-indole;FD7362;MFCD00214461;AKOS002433793;PS-9095;SB35815;AC-27809;A4913;FT-0659811;EN300-137667;5-Fluoro-2,3-dihydro-(1H)-indole, AldrichCPR;A845105;Q-102606

Chemical Property of 5-Fluoroindoline

Chemical Property:

• Vapor Pressure: 0.0929mmHg at 25°C
• Melting Point: 116-118 °C
• Refractive Index: 1.538
• Boiling Point: 224.1°Cat760mmHg
• PKA: 5.19±0.20(Predicted)
• Flash Point: 89.3°C
• PSA: 12.03000
• Density: 1.154g/cm³
• LogP: 1.93170
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.064077422
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Fluoroindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=C(C=C2)F
• Uses: 5-Fluoroindoline is used as pharmaceutical intermediate.

Technology Process of 5-Fluoroindoline

There total 7 articles about 5-Fluoroindoline 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%

5-fluoro-1H-indole (399-52-0) → 5-fluoroindoline (2343-22-8)

Guidance literature:

With platinum/carbon xerogel catalyst; hydrogen; toluene-4-sulfonic acid; In water; at 25 ℃; for 3h; under 22502.3 Torr; regioselective reaction;

DOI:10.1021/ol2019899

Reference yield: 75.7%

→ 5-fluoroindoline (2343-22-8)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 25 ℃; for 1h;

Reference yield: 74.0%

5-fluoroindol-2(3H)-one (56341-41-4) → 5-fluoroindoline (2343-22-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/S0022-1139(01)00401-8

upstream raw materials:

5-fluoroindol-2(3H)-one

5-fluoro-1H-indole

2-chloro-N-(4-fluorophenyl)acetamide

4-fluoroaniline

Downstream raw materials:

5-fluoro-1H-indole-2,3-dione

5-fluoro-1H-indole

Refernces

• 1、 De, Pinaki Bhusan,Banerjee, Sonbidya,Pradhan, Sourav,Punniyamurthy, Tharmalingam. "Ru(ii)-Catalyzed C7-acyloxylation of indolines with carboxylic acids". . p. 5889 - 5898. Retrieved 2018.
• 2、 Borghs, Jannik C.,Rueping, Magnus,Zubar, Viktoriia. "Hydrogenation or Dehydrogenation of N-Containing Heterocycles Catalyzed by a Single Manganese Complex". supporting information. . Retrieved 2020/05/19.
• 3、 Zhang, Sai,Gan, Jie,Xia, Zhaoming,Chen, Xiao,Zou, Yong,Duan, Xuezhi,Qu, Yongquan. "Dual-Active-Sites Design of Co@C Catalysts for Ultrahigh Selective Hydrogenation of N-Heteroarenes". supporting information. p. 2994 - 3006. Retrieved 2020/09/04.