4-Iodo-1H-indole hydrochloride

Base Information

• Chemical Name: 4-Iodo-1H-indole hydrochloride
• CAS No.: 81038-38-2
• Molecular Formula: C8H6IN
• Molecular Weight: 243.047
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90696416
• Mol file: 81038-38-2.mol

Synonyms:4-IODO-1H-INDOLE HYDROCHLORIDE;DTXSID90696416;AKOS015849554;4-Iodo-1H-indole--hydrogen chloride (1/1)

Chemical Property of 4-Iodo-1H-indole hydrochloride

Chemical Property:

• Melting Point: 90 °C
• Boiling Point: 130 °C
• PKA: 16.20±0.30(Predicted)
• PSA: 15.79000
• Density: 1.960±0.06 g/cm3(Predicted)
• LogP: 2.77250
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.93117
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

4-Iodo-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN2)C(=C1)I.Cl
• Uses: 4-Iodo-1H-indole is a reagent used in the preparation of aryl radicals as well as the synthesis of the myxobacterial natural product indiacen B.

Technology Process of 4-Iodo-1H-indole hydrochloride

There total 31 articles about 4-Iodo-1H-indole hydrochloride 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-iodo-1-methoxycarbonylindole (81038-37-1) → 4-iodo-1H-indole (81038-38-2)

Guidance literature:

With sodium methylate; In methanol;

DOI:10.1016/S0040-4039(97)00174-3

Reference yield: 97.0%

4-iodo-1-(p-toluenesulfonyl)indole (102855-25-4) → 4-iodo-1H-indole (81038-38-2)

Guidance literature:

With sodium hydroxide; In methanol; for 18h; Heating;

DOI:10.1248/cpb.46.889

Reference yield: 89.3%

4-iodo-1H-indolo-3-carboxylic acid methyl ester (101909-44-8) → 4-iodo-1H-indole (81038-38-2)

Guidance literature:

With sodium hydroxide; In methanol; for 1.5h; Heating;

DOI:10.1248/cpb.33.3696

upstream raw materials:

4-iodo-indole-2-carboxylic acid

2-methyl-3-buten-2-ol

4-iodo-1-methoxycarbonylindole

4-iodo-3-indolecarboxylic acid

Downstream raw materials:

4-methoxyindole-3-carboxaldehyde

4-iodoindoline

3-acetyl-4-iodoindole

(S)-3-(3-indolyl)butanoic acid

Refernces

• 1、 Yoshii, Yu,Otsu, Takanori,Hosokawa, Norihiko,Takasu, Kiyosei,Okano, Kentaro,Tokuyama, Hidetoshi. "Synthetic studies toward penitrem E: Enantiocontrolled construction of B-E rings". . p. 1070 - 1073. Retrieved 2015/02/19.
• 2、 Xu, Xiao-Bo,Liu, Jian,Zhang, Jian-Jian,Wang, Ya-Wen,Peng, Yu. "Nickel-mediated inter- and intramolecular C-S coupling of thiols and thioacetates with aryl iodides at room temperature". . p. 550 - 553. Retrieved 2013/04/11.