4-IODO-2,6-DINITROTOLUENE

Base Information

• Chemical Name: 4-IODO-2,6-DINITROTOLUENE
• CAS No.: 35572-79-3
• Molecular Formula: C7H5 Cl N2 O4
• Molecular Weight: 216.581
• Hs Code.: 2904909090
• Mol file: 35572-79-3.mol

Synonyms:4-Chloro-2,6-dinitrotoluene;5-Chloro-2-methyl-1,3-dinitrobenzene

Chemical Property of 4-IODO-2,6-DINITROTOLUENE

Chemical Property:

• Melting Point: 74-75 °C
• Boiling Point: 291.1±35.0 °C(Predicted)
• PSA: 91.64000
• Density: 1.532±0.06 g/cm3(Predicted)
• LogP: 3.51120

Purity/Quality:

99%, ^*data from raw suppliers

4-Chloro-2,6-dinitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-IODO-2,6-DINITROTOLUENE

There total 9 articles about 4-IODO-2,6-DINITROTOLUENE 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: 74.0%

2,6-dinitrotoluene (606-20-2) → 5-chloro-2-methyl-1,3-dinitro-benzene (35572-79-3)

Guidance literature:

With trichloroisocyanuric acid; sulfuric acid; at 130 ℃; for 2h;

DOI:10.1016/j.apcata.2011.05.017

Reference yield: 40.0%

2,6-dinitrobenzoic acid (603-12-3) → 5-chloro-2-methyl-1,3-dinitro-benzene (35572-79-3)

Guidance literature:

With sulfuric acid; chlorine; silver sulfate; at 80 - 90 ℃; for 192h;

DOI:10.1021/jo00207a027

Reference yield: 21.8%

4-chloro-2-nitrotoluene (89-59-8) → 5-chloro-2-methyl-1,3-dinitro-benzene (35572-79-3)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 90 ℃;

upstream raw materials:

para-chlorotoluene

4-chloro-2-nitrotoluene

4-Amino-2,6-dinitrotoluene

2,6-dinitrobenzoic acid

Downstream raw materials:

5-chloro-2-methyl-3-nitro-aniline

6-(1H-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole

6-(1H-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1-(phenylsulfonyl)-1H-indazole

6-chloro-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1-(phenylsulfonyl)-1H-indazole

Refernces

• 1、 Ning, Xiang-Li,Li, Yu-Zhi,Huo, Cui,Deng, Ji,Gao, Cheng,Zhu, Kai-Rong,Wang, Miao,Wu, Yu-Xiang,Yu, Jun-Lin,Ren, Ya-Li,Luo, Zong-Yuan,Li, Gen,Chen, Yang,Wang, Si-Yao,Peng, Cheng,Yang, Ling-Ling,Wang, Zhou-Yu,Wu, Yong,Qian, Shan,Li, Guo-Bo. "X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson’s Disease". . p. 8303 - 8332. Retrieved 2021/06/30.
• 2、 -. "Indazole compounds containing nitrogen substituents, and application of same as IDO inhibitors". Paragraph 0070; 0072; 0073; 0074; 0075. . Retrieved 2018/11/03.