2-Iodoethyl benzoate

Base Information

• Chemical Name: 2-Iodoethyl benzoate
• CAS No.: 39252-69-2
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• Hs Code.: 2916310090
• European Community (EC) Number: 677-165-6
• DSSTox Substance ID: DTXSID60500859
• Nikkaji Number: J148.039A
• Wikidata: Q82352830
• Mol file: 39252-69-2.mol

Synonyms:2-iodoethyl benzoate;39252-69-2;Benzoic Acid 2-Iodoethyl Ester;2-IodoethylBenzoate;Ethanol, 2-iodo-,1-benzoate;(2-iodoethyl)benzoate;SCHEMBL2747973;benzoic acid 2-iodo-ethyl ester;DTXSID60500859;HNQYNCREQXENCK-UHFFFAOYSA-N;MFCD00059491;AKOS015917470;BS-28005;B0070;CS-0207181;FT-0625955;A824487

Chemical Property of 2-Iodoethyl benzoate

Chemical Property:

• Refractive Index: 1.5700-1.5850
• Boiling Point: 299.1 °C at 760 mmHg
• Flash Point: 134.7 °C
• PSA: 26.30000
• Density: 1.664g/cm³
• LogP: 2.27840
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-IodoethylBenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodoethyl benzoate

There total 13 articles about 2-Iodoethyl benzoate 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: 98.6%

2-phenyl-1,3-dioxolane (936-51-6) → 1,2-Diiodoethane (624-73-7) + Hexamethyldisiloxane (107-46-0) + 2-iodoethyl benzoate (39252-69-2) + iodomethylbenzene (620-05-3)

Guidance literature:

With trimethylsilyl iodide; at 25 ℃; for 1h;

Reference yield: 98.6%

2-phenyl-1,3-dioxolane (936-51-6) + trimethylsilyl iodide (16029-98-4) → 1,2-Diiodoethane (624-73-7) + Hexamethyldisiloxane (107-46-0) + 2-iodoethyl benzoate (39252-69-2) + iodomethylbenzene (620-05-3)

Guidance literature:

at 25 ℃; for 1h; Mechanism; analogous reaction with other 1,3-dioxacycloalkanes;

Reference yield: 95.0%

Iodoethanol (624-76-0) + benzoyl chloride (98-88-4) → 2-iodoethyl benzoate (39252-69-2)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)90423-5

upstream raw materials:

2-chloroethyl benzoate

2-phenyl-1,3-dioxolane

trimethylsilyl iodide

Iodoethanol

Downstream raw materials:

benzoic acid ethyl ester

(E)-1,2-diphenyl-ethene

benzoic acid

2-({2-methyl-3-[4-phenyl-5-(4H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl}oxy)ethanol

Refernces

• 1、 Liu, Hong-Xin,Dang, Ya-Qian,Yuan, Yun-Fei,Xu, Zhi-Fang,Qiu, Sheng-Xiang,Tan, Hai-Bo. "Diacyl Disulfide: A Reagent for Chemoselective Acylation of Phenols Enabled by 4-(N,N-Dimethylamino)pyridine Catalysis". supporting information. p. 5584 - 5587. Retrieved 2016/11/17.
• 2、 Borah, Ruli,Kalita, Dipok J.,Sarma, Jadab C.. "Microwave promoted selective preparation of acetals and esters from aldehydes". . p. 1032 - 1038. Retrieved 2007/10/03.