4-(tert-Butyl)-2-iodophenol

Base Information

• Chemical Name: 4-(tert-Butyl)-2-iodophenol
• CAS No.: 38941-98-9
• Molecular Formula: C10H13IO
• Molecular Weight: 276.117
• Hs Code.: 2908199090
• European Community (EC) Number: 832-574-0
• DSSTox Substance ID: DTXSID70436332
• Nikkaji Number: J1.195.757I
• Mol file: 38941-98-9.mol

Synonyms:4-(tert-Butyl)-2-iodophenol;38941-98-9;4-tert-butyl-2-iodophenol;Phenol, 4-(1,1-dimethylethyl)-2-iodo-;4-t-butyl-2-iodophenol;2-Iodo-4-tert-butylphenol;SCHEMBL848161;DTXSID70436332;DTNQNHHVSJPDSG-UHFFFAOYSA-N;MFCD11035758;2-iodo-4-(1,1-dimethylethyl)phenol;AKOS016008298;DS-4245;MB09025;CS-0130406;FT-0732198;C74982;EN300-268602

Chemical Property of 4-(tert-Butyl)-2-iodophenol

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 73-75 °C
• Refractive Index: 1.588
• Boiling Point: 254.443 °C at 760 mmHg
• PKA: 8.73±0.18(Predicted)
• Flash Point: 107.684 °C
• PSA: 20.23000
• Density: 1.563 g/cm³
• LogP: 3.29430
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 276.00111
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

4-(tert-Butyl)-2-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(tert-Butyl)-2-iodophenol

There total 5 articles about 4-(tert-Butyl)-2-iodophenol 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%

para-tert-butylphenol (98-54-4) → 4-tert-butyl-2-iodophenol (38941-98-9)

Guidance literature:

With hydrogenchloride; α,α,α-trifluorotoluene; dihydrogen peroxide; iodine; In 2,2,2-trifluoroethanol; water; at 20 ℃; for 4h;

DOI:10.1002/adsc.201300127

Reference yield: 71.0%

para-tert-butylphenol (98-54-4) → 4-tert-butyl-2-iodophenol (38941-98-9) + 2,6-diiodo-4-(tert-butyl)phenol (75908-75-7)

Guidance literature:

With chloroamine-T; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tetlet.2013.03.040

Reference yield:

2-chloromercuri-4-(1,1-dimethylethyl)phenol (498-73-7) → 4-tert-butyl-2-iodophenol (38941-98-9)

Guidance literature:

With iodine; sodium hydrogensulfite; In acetic acid;

upstream raw materials:

para-tert-butylphenol

2-chloromercuri-4-(1,1-dimethylethyl)phenol

Downstream raw materials:

N-(5-tert-butylbenzo[d][1,3]oxathiol-2-ylidene)-4-chlorobenzenamine

N-(5-tert-butylbenzo[d][1,3]oxathiol-2-ylidene)-4-nitrobenzenamine

1,3-bis(2-iodo-4-tert-butylphenoxy)propane

1-[4-(tert-butyl)-2-iodophenoxy]-2-(tetrahydro-2H-2-pyranyloxy)ethane

Refernces

• 1、 Li, Xue,Chen, Haohua,Xuan, Qingqing,Mai, Shaoyu,Lan, Yu,Song, Qiuling. "Biomimetic carbene cascades enabled imine derivative migration from carbene -bearing thiocarbamates". supporting information. p. 3518 - 3523. Retrieved 2021/05/29.
• 2、 Hashmi, A. Stephen K.,Rominger, Frank,Si, Xiaojia,Zhang, Lumin. "Visible-Light-Induced Radical Carbo-Cyclization/ gem-Diborylation through Triplet Energy Transfer between a Gold Catalyst and Aryl Iodides". supporting information. p. 10485 - 10493. Retrieved 2020/07/03.