5-bromo-2-methyl-2,3-dihydro-1H-indole

Base Information

• Chemical Name: 5-bromo-2-methyl-2,3-dihydro-1H-indole
• CAS No.: 99847-70-8
• Molecular Formula: C₉H₁₀BrN
• Molecular Weight: 212.089
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30475181
• Mol file: 99847-70-8.mol

Synonyms:5-bromo-2-methyl-2,3-dihydro-1H-indole;99847-70-8;5-bromo-2-methylindoline;F2124-0403;SCHEMBL1982433;DTXSID30475181;NSBOZWGQLGHLQZ-UHFFFAOYSA-N;AKOS005208498;CS-0070071;E80951;EN300-211560;A905688

Chemical Property of 5-bromo-2-methyl-2,3-dihydro-1H-indole

Chemical Property:

• PSA: 12.03000
• LogP: 2.94360
• XLogP3: 3.1
• 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%, ^*data from raw suppliers

5-Bromo-2-methyl-2,3-dihydro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(N1)C=CC(=C2)Br

Technology Process of 5-bromo-2-methyl-2,3-dihydro-1H-indole

There total 5 articles about 5-bromo-2-methyl-2,3-dihydro-1H-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: 90.0%

5-bromo-2-methyl-1H-indole (1075-34-9) → 5-bromo-2-methyl-2,3-dihydroindole (99847-70-8)

Guidance literature:

With sodium cyanoborohydride; In acetic acid; at 20 ℃; for 12h;

DOI:10.1021/ja0657859

Reference yield:

2-allyl-4-bromoaniline (267002-57-3) → 5-bromo-2-methyl-2,3-dihydroindole (99847-70-8)

Guidance literature:

2-allyl-4-bromoaniline; With selenenyl bromide resin; tin(IV) chloride; In dichloromethane; at -20 ℃; for 0.5h;

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 90 ℃; for 2h;

DOI:10.1016/S0968-0896(02)00386-3

Reference yield:

N-allyl-4-bromobenzenamine (22774-76-1) → 5-bromo-2-methyl-2,3-dihydroindole (99847-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ZnCl₂ / xylene / 5.5 h / 145 °C

2.1: selenenyl bromide resin; SnCl₄ / CH₂Cl₂ / 0.5 h / -20 °C

2.2: n-Bu₃SnH; AIBN / toluene / 2 h / 90 °C

With selenenyl bromide resin; tin(IV) chloride; zinc(II) chloride; In dichloromethane; xylene; 1.1: amino Claisen rearrangement;

DOI:10.1016/S0968-0896(02)00386-3

upstream raw materials:

5-bromo-2-methyl-1H-indole

2-allyl-4-bromoaniline

N-allyl-4-bromobenzenamine

4-bromo-aniline

Downstream raw materials:

1-benzoyl-5-bromo-2-methyl-indoline

5-bromo-2-methyl-1H-indole

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