2-Bromo-1-(4-iodophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-iodophenyl)ethanone
• CAS No.: 31827-94-8
• Molecular Formula: C8H6BrIO
• Molecular Weight: 324.944
• Hs Code.: 2914700090
• NSC Number: 83522
• DSSTox Substance ID: DTXSID50292534
• Nikkaji Number: J1.397.439J
• Wikidata: Q72457442
• Mol file: 31827-94-8.mol

Synonyms:2-Bromo-1-(4-iodophenyl)ethanone;31827-94-8;2-Bromo-4'-iodoacetophenone;4-Iodophenacyl bromide;Acetophenone, 2-bromo-4'-iodo-;MFCD01360521;Ethanone, 2-bromo-1-(4-iodophenyl)-;p-Jodphenacylbromid;NSC83522;2-bromo-1-(4-iodo-phenyl)-ethanone;2-Bromo-1-(4-iodophenyl)ethan-1-one;NCIOpen2_009036;SCHEMBL191879;2-bromo-4'-iodo acetophenone;DTXSID50292534;AC1539;NSC-83522;2-Amino-4-(methylseleno)butanoicacid;2-Bromo-1-(4-iodophenyl)ethanone #;AKOS003628405;AC-23717;DS-10558;SY041321;AM20080628;CS-0186567;FT-0649286;A821015;AN-584/40260804;J-018545;2-Bromo-4 inverted exclamation mark -iodoacetophenone;2-bromo-1-(4-iodophenyl)ethanone

Chemical Property of 2-Bromo-1-(4-iodophenyl)ethanone

Chemical Property:

• Melting Point: 113.5 °C(Solv: ethanol, 95% (64-17-5))
• Boiling Point: 328.7 °C at 760 mmHg
• Flash Point: 152.6 °C
• PSA: 17.07000
• Density: 2.08 g/cm³
• LogP: 2.86880
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 323.86467
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98% ^*data from raw suppliers

4-Iodophenacyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)I

Technology Process of 2-Bromo-1-(4-iodophenyl)ethanone

There total 10 articles about 2-Bromo-1-(4-iodophenyl)ethanone 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: 100.0%

4-Iodoacetophenone (13329-40-3) → 2-bromo-1-(4-iodophenyl)ethanone (31827-94-8)

Guidance literature:

With bromine; In 1,4-dioxane; at 20 ℃; for 1h;

Reference yield: 93.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-iodobenzoic acid (619-58-9) → 2-bromo-1-(4-iodophenyl)ethanone (31827-94-8)

Guidance literature:

4-iodobenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1h;

diazomethane; In diethyl ether; dichloromethane; at 0 ℃; for 1h;

With hydrogen bromide; In diethyl ether; dichloromethane; Further stages.;

DOI:10.1021/jo800618q

Reference yield: 93.0%

→ 2-bromo-1-(4-iodophenyl)ethanone (31827-94-8)

Guidance literature:

upstream raw materials:

4-Iodoacetophenone

bromine

acetic acid

diazomethane

Downstream raw materials:

2-amino-1-(4-iodo-phenyl)-ethanone; hydrochloride

2-amino-5-(4-iodophenyl)imidazole-1-carboxylic acid tert-butyl ester

1-(4-iodophenyl)-2-(1H-imidazol-1-yl)ethanone

4-iodobenzamide

Refernces

• 1、 Abdallah, Mennatallah,Hamed, Mostafa M.,Frakolaki, Efseveia,Katsamakas, Sotirios,Vassilaki, Niki,Bartenschlager, Ralf,Zoidis, Grigoris,Hirsch, Anna K.H.,Abdel-Halim, Mohammad,Abadi, Ashraf H.. "Redesigning of the cap conformation and symmetry of the diphenylethyne core to yield highly potent pan-genotypic NS5A inhibitors with high potency and high resistance barrier". . . Retrieved 2021/12/27.
• 2、 Shibasaki, Kaho,Togo, Hideo. "2-Amino-4-arylthiazoles through One-Pot Transformation of Alkylarenes with NBS and Thioureas". . p. 2520 - 2527. Retrieved 2019/04/04.