1-Heptanone, 7-iodo-1-phenyl-

Base Information

• Chemical Name: 1-Heptanone, 7-iodo-1-phenyl-
• CAS No.: 110719-01-2
• Molecular Formula: C13H17IO
• Molecular Weight: 316.182
• DSSTox Substance ID: DTXSID90457746
• Wikidata: Q82280720
• Mol file: 110719-01-2.mol

Synonyms:1-Heptanone, 7-iodo-1-phenyl-;110719-01-2;DTXSID90457746

Chemical Property of 1-Heptanone, 7-iodo-1-phenyl-

Chemical Property:

• Boiling Point: 359.3±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.422±0.06 g/cm3(Predicted)
• LogP: 4.25480
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 316.03241
• Heavy Atom Count: 15
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Heptanone, 7-iodo-1-phenyl-

There total 5 articles about 1-Heptanone, 7-iodo-1-phenyl- 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: 86.0%

1-phenylcycloheptanol (2082-21-5) → 7-iodo-1-phenylheptan-1-one (110719-01-2)

Guidance literature:

With [bis(acetoxy)iodo]benzene; sodium iodide; In acetonitrile; at 20 ℃; for 10h; Inert atmosphere; Irradiation;

DOI:10.1039/d0cc01720e

Reference yield: 67.0%

1-hydroperoxy-1-phenylcycloheptane (37908-41-1) → 7-iodo-1-phenylheptan-1-one (110719-01-2)

Guidance literature:

With hydrogen iodide; copper diacetate; In 1-methyl-pyrrolidin-2-one; water; at 25 ℃; for 2h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1039/d1cc03013b

Reference yield: 67.0%

→ 7-iodo-1-phenylheptan-1-one (110719-01-2)

Guidance literature:

With hydrogen iodide; copper diacetate; In 1-methyl-pyrrolidin-2-one; at 25 ℃; for 2h;

upstream raw materials:

1-phenylcycloheptanol

1-propylcycloheptanol

cycloheptanone

1-hydroperoxy-1-phenylcycloheptane

Downstream raw materials:

C₆H₅C(O)(CH₂)6ZnI

(E)-7-iodo-1-phenyl-2-hepten-1-one

Refernces

• 1、 Bai, Ming,Duan, Xin-Hua,Guo, Li-Na,Liu, Shuai,Sun, Qing-Xin,Xu, Peng-Fei. "Copper-catalyzed radical ring-opening halogenation with HX". . p. 8652 - 8655. Retrieved 2021/09/04.
• 2、 Shi, Jiang-Ling,Wang, Yuankai,Wang, Zixuan,Dou, Bowen,Wang, Jianbo. "Ring-opening iodination and bromination of unstrained cycloalkanols through ?-scission of alkoxy radicals". supporting information. p. 5002 - 5005. Retrieved 2020/05/18.