4-Methoxy-(2-iodoethynyl)benzene

Base Information

• Chemical Name: 4-Methoxy-(2-iodoethynyl)benzene
• CAS No.: 61926-37-2
• Molecular Formula: C9H7IO
• Molecular Weight: 258.058
• DSSTox Substance ID: DTXSID20462727
• Nikkaji Number: J1.075.340F
• Wikidata: Q82287304
• Mol file: 61926-37-2.mol

Synonyms:4-Methoxy-(2-iodoethynyl)benzene;61926-37-2;1-(2-iodoethynyl)-4-methoxybenzene;1-(iodoethynyl)-4-methoxybenzene;Benzene, 1-(iodoethynyl)-4-methoxy-;SCHEMBL7918386;DTXSID20462727

Chemical Property of 4-Methoxy-(2-iodoethynyl)benzene

Chemical Property:

• PSA: 9.23000
• LogP: 2.43920
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 257.95416
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

4-Methoxy-(2-iodoethynyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C#CI

Technology Process of 4-Methoxy-(2-iodoethynyl)benzene

There total 8 articles about 4-Methoxy-(2-iodoethynyl)benzene 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%

4-methoxyphenylacetylen (768-60-5) → 1-(iodoethynyl)-4-methoxybenzene (61926-37-2)

Guidance literature:

With N-iodo-succinimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1002/adsc.201901607

Reference yield: 87.0%

4-methoxyphenylacetylen (768-60-5) → 1-methoxy-4-(1,2,2-triiodovinyl)benzene (53060-07-4) + C9H8I2O + 1-(iodoethynyl)-4-methoxybenzene (61926-37-2)

Guidance literature:

4-methoxyphenylacetylen; With [bis(acetoxy)iodo]benzene; tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; for 3h;

With [bis(acetoxy)iodo]benzene; potassium iodide; In water; acetonitrile; at 20 ℃; for 15.3333h; chemoselective reaction;

DOI:10.1021/acs.joc.7b01555

Reference yield: 85.0%

3-(4-methoxyphenyl)propynoic acid (2227-57-8) → 1-(iodoethynyl)-4-methoxybenzene (61926-37-2)

Guidance literature:

With N-iodo-succinimide; tetrabutylammonium trifluoroacetate; In 1,2-dichloro-ethane; at 20 ℃; for 0.25h;

DOI:10.1021/jo990434g

upstream raw materials:

1-bromo-2-(4-methoxyphenyl)acetylene

3-(4-methoxyphenyl)propynoic acid

4-methoxyphenylacetylen

(4-methoxyphenylethynyl)trimethylsilane

Downstream raw materials:

1-(3,3-difluoro-2-iodo-cycloprop-1-enyl)-4-methoxy-benzene

hexadeca-7,9-diyne

1,4-bis(4-methoxyphenyl)-1,3-butadiyne

1,4-bis[4-(trifluoromethyl)phenyl]buta-1,3-diyne