1-(3-Iodophenyl)ethanone

Base Information

• Chemical Name: 1-(3-Iodophenyl)ethanone
• CAS No.: 14452-30-3
• Molecular Formula: C8H7IO
• Molecular Weight: 246.047
• Hs Code.: 2914700090
• European Community (EC) Number: 627-958-8
• DSSTox Substance ID: DTXSID5065770
• Nikkaji Number: J421.918J
• Wikidata: Q72483286
• Mol file: 14452-30-3.mol

Synonyms:1-(3-Iodophenyl)ethanone;14452-30-3;3'-Iodoacetophenone;3-Iodoacetophenone;Ethanone, 1-(3-iodophenyl)-;1-(3-iodophenyl)ethan-1-one;3'-iodo acetophenone;3-iodine-phenyl-ethanone;1-(3-iodo-phenyl)-ethanone;MFCD00060283;3-iodo acetophenone;3/'-Iodoacetophenone;3'-Iodoacetophenone, 97%;1-(3-Iodophenyl)ethanone #;SCHEMBL172793;DTXSID5065770;CK2572;AKOS005258741;AC-3643;AM61773;CS-W010241;DS-18475;SY109511;3 inverted exclamation mark -Iodoacetophenone;FT-0615890;I1080;EN300-67490;A19717;1-(3-iodophenyl)-ethanon;J-007961

Chemical Property of 1-(3-Iodophenyl)ethanone

Chemical Property:

• Melting Point: 25 °C
• Refractive Index: n/D 1.6247
• Boiling Point: 284.3 °C at 760 mmHg
• Flash Point: 125.7 °C
• PSA: 17.07000
• Density: 1.72 g/cm³
• LogP: 2.49380
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.95416
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

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

3''-Iodoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, C, Xi
• Hazard Codes: Xi,C,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36/37/39-39-24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)I
• Uses: 3''-Iodoacetophenone is a reagent used in the synthesis of sulfonamide derivative containing dihydropyrazole moieties as an inhibitor of MMP-2/MMP-9.

Technology Process of 1-(3-Iodophenyl)ethanone

There total 11 articles about 1-(3-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: 93.0%

3-acetylphenylboronic acid → 3'-iodoacetophenone (14452-30-3)

Guidance literature:

With N-iodo-succinimide; potassium acetate; In acetonitrile; at 50 ℃; for 4h;

DOI:10.1021/acs.orglett.9b00942

Reference yield: 92.0%

acetophenone (98-86-2) → 3'-iodoacetophenone (14452-30-3)

Guidance literature:

With iodine tris(trifluoroacetate); In dichloromethane; for 24h; Ambient temperature;

DOI:10.1246/bcsj.60.4363

Reference yield: 83.0%

1-[3-(pyrrolidin-1-ylazo)phenyl]ethan-1-one → 3'-iodoacetophenone (14452-30-3)

Guidance literature:

With methyl iodide; at 120 ℃; for 24h;

DOI:10.1021/ol052792d

upstream raw materials:

1-(3-aminophenyl)ethanone

acetophenone

α-(benzoyloxy)-m-iodoacetophenone

methylmagnesium bromide

Downstream raw materials:

{2-[1-(3-iodo-phenyl)-1-phenyl-ethoxy]-ethyl}-dimethyl-amine

1,3,5-tris-(3-iodo-phenyl)-benzene

2-(3-iodophenyl)propan-2-ol

3-Iodobenzoic acid

Refernces

• 1、 Sloan, Nikki L.,Luthra, Sajinder K.,McRobbie, Graeme,Pimlott, Sally L.,Sutherland, Andrew. "Late stage iodination of biologically active agents using a one-pot process from aryl amines". . p. 54881 - 54891. Retrieved 2017/12/12.
• 2、 Vogl, Michael,Kratzer, Regina,Nidetzky, Bernd,Brecker, Lothar. "Candida tenuis xylose reductase catalysed reduction of acetophenones: The effect of ring-substituents on catalytic efficiency". experimental part. p. 5863 - 5870. Retrieved 2011/09/30.