5-Bromo-1-methyl-2,3-dihydro-1H-isoindole

Base Information

• Chemical Name: 5-Bromo-1-methyl-2,3-dihydro-1H-isoindole
• CAS No.: 335428-62-1
• Molecular Formula: C₉H₁₀BrN
• Molecular Weight: 212.089
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30593410
• Mol file: 335428-62-1.mol

Synonyms:335428-62-1;5-Bromo-1-methylisoindoline;5-Bromo-1-methyl-2,3-dihydro-1H-isoindole;5-bromo-2,3-dihydro-1-methyl-1H-Isoindole;223595-17-3;(R)-5-bromo-1-methylisoindoline;1286768-83-9;(S)-5-Bromo-1-methyl-2,3-dihydro-1H-isoindole;(1r)-5-bromo-1-methyl-2,3-dihydro-1h-isoindole;Garenoxacin intermediate 5;(1R)-5-BROMO-2,3-DIHYDRO-1-METHYL-1H-ISOINDOLE;SCHEMBL6671284;DTXSID30593410;KTUCROBKAQWWPX-UHFFFAOYSA-N;AMY21455;BCP17553;AKOS016009936;SB32648;SB35567;SB36670;A5972;CS-0323492;F13796

Chemical Property of 5-Bromo-1-methyl-2,3-dihydro-1H-isoindole

Chemical Property:

• Vapor Pressure: 0.0118mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 261.1 °C at 760 mmHg
• Flash Point: 111.7 °C
• PSA: 12.03000
• Density: 1.407 g/cm³
• LogP: 2.94210
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.99966
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

5-bromo-2,3-dihydro-1-methyl-1H-Isoindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(CN1)C=C(C=C2)Br

Technology Process of 5-Bromo-1-methyl-2,3-dihydro-1H-isoindole

There total 22 articles about 5-Bromo-1-methyl-2,3-dihydro-1H-isoindole 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: 86.0%

5-bromo-1-methylisoindoline (335428-62-1) → (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole (335428-62-1)

Guidance literature:

With (R)-10-camphorsulfonic acid; In ethanol; at 60 ℃; for 3h; Reagent/catalyst;

Reference yield: 84.3%

C9H11BrClN → (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole (335428-62-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 13h; Solvent;

Reference yield: 83.1%

3-bromobenzylamine (10269-01-9) + acetaldehyde (75-07-0,9002-91-9) → 5-bromo-1-methylisoindoline (335428-62-1)

Guidance literature:

With hydrogen bromide; In water; at 0 ℃; for 9h; Reagent/catalyst; Reflux;

upstream raw materials:

(R)-1-(4-bromophenyl)ethylamine

para-bromoacetophenone

1-(4-bromophenyl)ethylamine

acetic acid

Refernces

• 1、 -. "Preparation method of (1R)-5-bromo-2,3-dihydro-1-methyl-1H-isoindole". . . Retrieved 2020/04/17.
• 2、 -. "A (R)- N - Boc - 5 - bromo - 1 - methyl isobutyl ketone indoline and its preparation method and application (by machine translation)". . . Retrieved 2017/08/31.