7-(benzhydryloxy)-1H-indole

Base Information

• Chemical Name: 7-(benzhydryloxy)-1H-indole
• CAS No.: 135328-49-3
• Molecular Formula: C21H17NO
• Molecular Weight: 299.372
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30567611
• Nikkaji Number: J2.998.328C
• Wikidata: Q82453540
• Mol file: 135328-49-3.mol

Synonyms:7-(benzhydryloxy)-1H-indole;135328-49-3;7-BENZHYDRYLOXYINDOLE;7-benzhydryloxy-1H-indole;7-(DIPHENYLMETHOXY)-1H-INDOLE;7-Benzhydryloxy indole;7-(benzhydryloxy)indoline;SCHEMBL5334267;DTXSID30567611;RUSLOKVULVVFGQ-UHFFFAOYSA-N;MFCD07644633;AKOS016001131;CS-W001415;s11547;AS-57634;W-205461;7-(BENZHYDRYLOXY)-1H-INDOLE[135328-49-3]

Chemical Property of 7-(benzhydryloxy)-1H-indole

Chemical Property:

• Vapor Pressure: 2.53E-09mmHg at 25°C
• Refractive Index: 1.675
• Boiling Point: 491.4°Cat760mmHg
• PKA: 16.15±0.30(Predicted)
• Flash Point: 174.8°C
• PSA: 25.02000
• Density: 1.195g/cm³
• LogP: 5.33630
• Storage Temp.: 2-8°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 299.131014166
• Heavy Atom Count: 23
• Complexity: 341

Purity/Quality:

NLT 98% ^*data from raw suppliers

7-(benzhydryloxy)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CC=CC4=C3NC=C4

Technology Process of 7-(benzhydryloxy)-1H-indole

There total 6 articles about 7-(benzhydryloxy)-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: 63.0%

1-nitro-2-(diphenylmethoxy)-benzene + vinyl magnesium bromide (1826-67-1) → 7-(diphenylmethoxy)indole (135328-49-3)

Guidance literature:

In tetrahydrofuran; at -40 ℃;

DOI:10.1271/bbb.90111

Reference yield: 57.0%

benzhydryl-(2-nitro-phenyl)-ether (67810-89-3) + vinyl magnesium bromide (1826-67-1) → 7-(diphenylmethoxy)indole (135328-49-3)

Guidance literature:

In tetrahydrofuran; at -40 ℃; for 0.666667h;

DOI:10.1080/00397919108020827

Reference yield:

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 7-(diphenylmethoxy)indole (135328-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / K₂CO₃ / dimethylformamide

2: 44 percent / tetrahydrofuran / 1 h / -40 °C

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1039/a800278i

upstream raw materials:

benzhydryl-(2-nitro-phenyl)-ether

vinyl magnesium bromide

Bromodiphenylmethane

2-hydroxynitrobenzene

Downstream raw materials:

7-Indolol

3-(7-benzhydroxy-1H-indol-3-yl)-4-bromo-1-methylpyrrole-2,5-dione

7-benzhydroxy-3-(4-bromo-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)indole-1-carboxylic acid tert-butyl ester

7-benzhydryloxy-3-[1-methyl-2,5-dioxo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,5-dihydro-1H-pyrrol-3-yl]indole-1-carboxylic acid tert-butyl ester