Benzenepropanol, 2-iodo-

Base Information

• Chemical Name: Benzenepropanol, 2-iodo-
• CAS No.: 26059-41-6
• Molecular Formula: C9H11IO
• Molecular Weight: 262.09
• DSSTox Substance ID: DTXSID50441828
• Wikidata: Q82258793
• Mol file: 26059-41-6.mol

Synonyms:26059-41-6;3-(2-iodophenyl)-1-propanol;Benzenepropanol, 2-iodo-;SCHEMBL2185670;DTXSID50441828;RMHUFAVKFGGBTF-UHFFFAOYSA-N;AKOS005216850

Chemical Property of Benzenepropanol, 2-iodo-

Chemical Property:

• Boiling Point: 319.0±17.0 °C(Predicted)
• PSA: 20.23000
• Density: 1.655±0.06 g/cm3(Predicted)
• LogP: 2.21610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.98546
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCO)I

Technology Process of Benzenepropanol, 2-iodo-

There total 18 articles about Benzenepropanol, 2-iodo- 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%

ethyl 3-(2-iodophenyl)propanoate (122951-06-8) → 3-(2-iodophenyl)-1-propanol (26059-41-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -50 ℃;

DOI:10.1021/ol2003308

Reference yield: 99.0%

3-(2-iodophenyl)propanoic acid (96606-95-0) → 3-(2-iodophenyl)-1-propanol (26059-41-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1021/acs.orglett.1c00099

Reference yield: 93.0%

3-(2-bromo-phenyl)-propan-1-ol (52221-92-8) → 3-(2-iodophenyl)-1-propanol (26059-41-6)

Guidance literature:

With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; sodium iodide; In pentan-1-ol; at 130 ℃; for 48h; Sealed tube; Inert atmosphere;

upstream raw materials:

3-(2-iodophenyl)propanoic acid

ethyl 3-(2-iodophenyl)propanoate

methyl (E)-3-(2′-iodophenyl)acrylate

2-(2-iodophenyl)ethan-1-ol

Downstream raw materials:

1-iodo-3-(2-iodophenyl)propane

2,2-dimethyl-5-phenylpentanenitrile

5-(2-iodophenyl)-2,2-dimethylpentanenitrile

N-<3-(2-Iodophenyl)propyl>serine methyl ester

Refernces

• 1、 Jash, Moumita,Das, Bimolendu,Sen, Suparna,Chowdhury, Chinmay. "Intramolecular Cycloaddition Approach to Fused Pyrazoles: Access to 4,5-Dihydro-2 H -pyrazolo[4,3- c ]quinolines, 2,8-Dihydroindeno[2,1- c ]pyrazoles, and 4,5-Dihydro-2 H -benzo[ e ]indazoles". supporting information. p. 1511 - 1520. Retrieved 2017/12/26.
• 2、 Kim, Heejin,Inoue, Keita,Yoshida, Jun-Ichi. "Harnessing [1,4], [1,5], and [1,6] Anionic Fries-type Rearrangements by Reaction-Time Control in Flow". supporting information. p. 7863 - 7866. Retrieved 2017/06/27.