6-Bromoindoline

Base Information

• Chemical Name: 6-Bromoindoline
• CAS No.: 63839-24-7
• Molecular Formula: C8H8BrN
• Molecular Weight: 198.062
• Hs Code.: 29339900
• European Community (EC) Number: 811-655-4
• UNII: MF7CL4T48E
• DSSTox Substance ID: DTXSID50518084
• Nikkaji Number: J3.173.856C
• Wikidata: Q72457410
• Mol file: 63839-24-7.mol

Synonyms:6-Bromoindoline;63839-24-7;6-bromo-2,3-dihydro-1H-indole;6-bromo-indoline;1H-INDOLE, 6-BROMO-2,3-DIHYDRO-;MFCD07371638;6- bromoindoline;6-bromo indoline;6-bromo-2,3-dihydroindole;MF7CL4T48E;2-oxazolidinone, 3-acetyl-;6-Bromoindoline, AldrichCPR;SCHEMBL1612916;DTXSID50518084;MTSYZAHZABCWMS-UHFFFAOYSA-N;AKOS006281901;CS-W005428;FS-3356;MB04573;AC-27803;SY066259;A8779;AM20040933;EN300-74713

Chemical Property of 6-Bromoindoline

Chemical Property:

• Boiling Point: 266.325 °C at 760 mmHg
• PKA: 4.28±0.20(Predicted)
• Flash Point: 114.869 °C
• PSA: 12.03000
• Density: 1.515 g/cm³
• LogP: 2.55510
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.98401
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

6-Bromoindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-51/53-36/37/38
• Safety Statements: 45-61-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=CC(=C2)Br

Technology Process of 6-Bromoindoline

There total 6 articles about 6-Bromoindoline 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: 99.0%

6-bromo-1H-indole (52415-29-9) → 6-bromo-indoline (63839-24-7)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 20 ℃;

DOI:10.1002/cmdc.201600491

Reference yield: 90.9%

→ 6-bromo-indoline (63839-24-7)

Guidance literature:

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

Reference yield: 58.0%

6-bromo-2-oxyindole → 6-bromo-indoline (63839-24-7)

Guidance literature:

With sodium hydroxide; borane; In ethyl acetate; toluene;

upstream raw materials:

1-indoline

6-bromo-2,3-dihydro-1H-indole-2-one

6-bromo-1H-indole

indole

Downstream raw materials:

6-bromo-1-(4-methoxybenzyl)-2,3-dihydro-1H-indole

C₁₇H₁₃Br₂N

C₁₇H₁₃Br₂N

1-[1-(4-fluorophenethyl)piperidin-4-yl]-6-bromoindoline

Refernces

• 1、 Scott Wiens,Johnson, Jerry L.,Gribble, Gordon W.. "Concerning the preparation of 6-bromotryptamine". . . Retrieved 2021/03/15.
• 2、 -. "NEAR-INFRARED NERVE-SPARING FLUOROPHORES". Page/Page column 101; 102. . Retrieved 2020/02/17.