(3-Iodobutyl)benzene

Base Information

• Chemical Name: (3-Iodobutyl)benzene
• CAS No.: 59456-20-1
• Molecular Formula: C10H13I
• Molecular Weight: 260.118
• DSSTox Substance ID: DTXSID70467328
• Nikkaji Number: J361.420D
• Mol file: 59456-20-1.mol

Synonyms:(3-Iodobutyl)benzene;59456-20-1;Benzene, (3-iodobutyl)-;SCHEMBL8351827;DTXSID70467328

Chemical Property of (3-Iodobutyl)benzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 260.00620
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)I

Technology Process of (3-Iodobutyl)benzene

There total 14 articles about (3-Iodobutyl)benzene 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%

→ (rac)-(3-iodobutyl)benzeze (59456-20-1)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen; iodine; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; at 20 ℃; for 24h; under 30003 Torr;

Reference yield: 89.0%

1-(3-fluorobutyl)benzene (132665-55-5) → (rac)-(3-iodobutyl)benzeze (59456-20-1)

Guidance literature:

With YbI₃; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1002/anie.201306104

Reference yield: 88.0%

1-methyl-3-phenylpropyl methanesulfonate (75803-21-3) → (rac)-(3-iodobutyl)benzeze (59456-20-1)

Guidance literature:

With 1-methyl-3-(n-butyl)imidazolium iodide; at 60 ℃; for 24h; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

upstream raw materials:

1-Phenylbut-1-en-3-one

1-phenylbutane-1,3-diol

4-Phenyl-2-butanone

4-Phenylbut-1-ene

Downstream raw materials:

trans-4-phenyl-2-butene

4-Phenylbut-1-ene

1-butylbenzene

(2Z)-but-2-en-1-ylbenzene

Refernces

• 1、 Zerban, Jensen J.,Bagnall, Brody,Davis, Todd A.. "Enhancing the leaving group ability of alkyl fluorides: I/F exchange reactions mediated by LiI". supporting information. . Retrieved 2022/01/28.
• 2、 Zeng, Chaoyuan,Shen, Guoli,Yang, Fan,Chen, Jingchao,Zhang, Xuexin,Gu, Cuiping,Zhou, Yongyun,Fan, Baomin. "Rhodium-Catalyzed Generation of Anhydrous Hydrogen Iodide: An Effective Method for the Preparation of Iodoalkanes". supporting information. p. 6859 - 6862. Retrieved 2018/10/25.