N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide

Base Information

• Chemical Name: N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
• CAS No.: 157701-33-2
• Molecular Formula: C11H12BrNO
• Molecular Weight: 254.12300
• DSSTox Substance ID: DTXSID00439316
• Nikkaji Number: J675.351E
• Wikidata: Q82255237
• Mol file: 157701-33-2.mol

Synonyms:N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide;157701-33-2;5-acetamido-6-bromoindan;N-(5-BROMO-2,3-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE;Acetamide, N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-;5-acetylamino-6-bromoindane;6-bromo-5-acetamido-indane;SCHEMBL433839;DTXSID00439316;N-(6-Bromoindan-5-yl)acetamide;BSZWXNUSLPNWEZ-UHFFFAOYSA-N;MFCD09263981;AB50326;BS-42508;CS-0153990

Chemical Property of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide

Chemical Property:

• Boiling Point: 385.6±42.0 °C(Predicted)
• PKA: 14.20±0.20(Predicted)
• PSA: 32.59000
• Density: 1.514±0.06 g/cm3(Predicted)
• LogP: 3.54570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 253.01023
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

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

N-(5-BROMO-2,3-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C2CCCC2=C1)Br

Technology Process of N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide

There total 4 articles about N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide 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%

5-acetamidoindane (59856-06-3) → 5-acetylamino-6-bromoindane (157701-33-2)

Guidance literature:

With bromine; acetic acid; at 0 - 22 ℃; for 1.5h;

Reference yield:

6-bromo-2,3-dihydro-1H-inden-5-amine (53474-09-2) + acetic anhydride (108-24-7) → 5-acetylamino-6-bromoindane (157701-33-2)

Guidance literature:

With pyridine; In ethyl acetate; at 20 ℃; for 72h;

Reference yield:

indan-5-amine (24425-40-9) → 5-acetylamino-6-bromoindane (157701-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / pyridine / ethyl acetate / 17 h / 20 °C

2: 97 percent / Br₂ / acetic acid / 0.5 h / 20 °C

With pyridine; bromine; In acetic acid; ethyl acetate; 1: Acetylation / 2: Bromination;

upstream raw materials:

5-acetamidoindane

bromine

acetic acid

indan-5-amine

Downstream raw materials:

C₁₇H₁₅F₂NO₅S₃

C₁₇H₁₆F₂N₂O₅S₂

C₁₈H₁₇NO₇S₃

C₁₇H₁₆FNO₅S₃

Refernces

• 1、 -. "COMPOUNDS". Page/Page column 116. . Retrieved 2021/08/27.
• 2、 -. "COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR". Paragraph 0384. . Retrieved 2019/10/15.