2,2'-Diiodo-6,6'-dimethylbiphenyl

Base Information

• Chemical Name: 2,2'-Diiodo-6,6'-dimethylbiphenyl
• CAS No.: 134453-96-6
• Molecular Formula: C₁₄H₁₂I₂
• Molecular Weight: 434.058
• DSSTox Substance ID: DTXSID80384315
• Nikkaji Number: J746.886E
• Wikidata: Q82176366
• Mol file: 134453-96-6.mol

Synonyms:2,2'-DIIODO-6,6'-DIMETHYLBIPHENYL;134453-96-6;1-iodo-2-(2-iodo-6-methylphenyl)-3-methylbenzene;2,2/'-Diiodo-6,6/'-dimethylbiphenyl;2,2'-Diiodo-6,6'-dimethyl-1,1'-biphenyl;144180-63-2;SCHEMBL3395495;UKZXGBNQRZGWQM-UHFFFAOYSA-;DTXSID80384315;UKZXGBNQRZGWQM-UHFFFAOYSA-N;AKOS024262765;AT25056;CS-0446650;FT-0701791;InChI=1/C14H12I2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,1-2H3

Chemical Property of 2,2'-Diiodo-6,6'-dimethylbiphenyl

Chemical Property:

• PSA: 0.00000
• LogP: 5.17960
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 433.90285
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

2,2''-Diiodo-6,6''-dimethylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)I)C2=C(C=CC=C2I)C

Technology Process of 2,2'-Diiodo-6,6'-dimethylbiphenyl

There total 5 articles about 2,2'-Diiodo-6,6'-dimethylbiphenyl 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%

2,2'-dimethyl-[1,1'-biphenyl]iodonium trifluoromethanesulfonate salt → (RS)-2,2'-diiodo-6,6'-dimethylbiphenyl (134453-96-6,88966-99-8,144180-63-2,126374-25-2)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; copper(II) iodide; In dichloromethane; at 20 ℃; for 12h;

Reference yield: 9.0%

2,2'-Dilithio-6,6'-dimethylbiphenyl → 2,2'-dimethyl-1,1'-biphenyl (605-39-0) + (RS)-2,2'-diiodo-6,6'-dimethylbiphenyl (134453-96-6,88966-99-8,144180-63-2,126374-25-2) + 2-Iodo-6,6'-dimethylbiphenyl

Guidance literature:

With J₂; In diethyl ether; for 0.333333h; Ambient temperature;

DOI:10.1039/c39830001021

Reference yield:

→ (RS)-2,2'-diiodo-6,6'-dimethylbiphenyl (134453-96-6,88966-99-8,144180-63-2,126374-25-2)

Guidance literature:

With hydrogenchloride; Diazotization_.Behandlung der Diazoniumsalz-Loesung mit KI;

upstream raw materials:

2,2'-diamino-6,6'-dimethylbiphenyl

Downstream raw materials:

2,2'-dimethyl-1,1'-biphenyl