1-Iodo-3-phenoxybenzene

Base Information

• Chemical Name: 1-Iodo-3-phenoxybenzene
• CAS No.: 2974-95-0
• Molecular Formula: C12H9IO
• Molecular Weight: 296.107
• NSC Number: 226369
• DSSTox Substance ID: DTXSID50310388
• Wikidata: Q82059339
• Mol file: 2974-95-0.mol

Synonyms:1-iodo-3-phenoxybenzene;2974-95-0;1-Iodo-3-phenoxy-benzene;Benzene, 1-iodo-3-phenoxy-;NSC226369;O(c1ccccc1)c2cccc(I)c2;SCHEMBL7560564;DTXSID50310388;AB91855;NSC 226369;NSC-226369;CS-0450657;F78808;A1-00549

Chemical Property of 1-Iodo-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.000402mmHg at 25°C
• Boiling Point: 326.8°Cat760mmHg
• Flash Point: 151.4°C
• Density: 1.626g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 295.96981
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)I

Technology Process of 1-Iodo-3-phenoxybenzene

There total 2 articles about 1-Iodo-3-phenoxybenzene 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:

3-phenoxyaniline (3586-12-7) → 1-iodo-3-phenoxybenzene (2974-95-0)

Guidance literature:

Diazotization;

DOI:10.1039/jr9320002857 DOI:10.1021/ja01316a035

Reference yield:

→ 1-iodo-3-phenoxybenzene (2974-95-0)

Guidance literature:

RN2+, KI;

Reference yield: 71.0%

1-iodo-3-phenoxybenzene (2974-95-0) + 2,3,3-trimethylbutan-2-yl 2-chloropropanoate → 2,3,3-trimethylbutan-2-yl (S)-2-(3-phenoxyphenyl)propanoate

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; N-Methyldicyclohexylamine; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; (4R,4'R)-4,4'-di(heptan-4-yl)-4,4',5,5'-tetrahydro-2,2'-bioxazole; In N,N-dimethyl acetamide; at 20 ℃; for 48h; enantioselective reaction; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201914175

upstream raw materials:

3-phenoxyaniline

Downstream raw materials:

3-phenoxybenzoic acid

diphenylether

3-phenoxyaniline