Tert-butyl 7-iodoheptanoate

Base Information

Chemical Name:Tert-butyl 7-iodoheptanoate
CAS No.:54005-76-4
Molecular Formula:C11H21IO2
Molecular Weight:312.191
Hs Code.:
DSSTox Substance ID:DTXSID10571539
Wikidata:Q82459639

Synonyms:TERT-BUTYL 7-IODOHEPTANOATE;54005-76-4;Heptanoic acid, 7-iodo-, 1,1-dimethylethyl ester;tert-Butyl7-iodoheptanoate;SCHEMBL10557596;DTXSID10571539;BS-52778;E84217

Suppliers and Price of Tert-butyl 7-iodoheptanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Tert-butyl 7-iodoheptanoate

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:312.05863
Heavy Atom Count:14
Complexity:161

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CCCCCCI

Technology Process of Tert-butyl 7-iodoheptanoate

There total 8 articles about Tert-butyl 7-iodoheptanoate 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%

: 51100-47-1
7-bromoheptanoic acid t-butyl ester

: 54005-76-4
tert-butyl 7-iodoheptanoate

Guidance literature:: With sodium iodide; In acetone; for 12h; Heating;
DOI:10.1021/jo00335a014

Reference yield: 54.0%

: 88019-89-0
7-iodoheptanoic acid

: 115-11-7,15220-85-6
isobutene

: 54005-76-4
tert-butyl 7-iodoheptanoate

Guidance literature:: With sulfuric acid; In dichloromethane; for 48h;
DOI:10.1002/(SICI)1099-1344(199706)39:6<509::AID-JLCR996>3.0.CO;2-H

Reference yield:

: 111-24-0
1,5-dibromo-pentane

: 54005-76-4
tert-butyl 7-iodoheptanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.)LDA / 1.) THF, -80 deg C 2.) HMPA

2: 99 percent / NaI / acetone / 12 h / Heating

With sodium iodide; lithium diisopropyl amide; In acetone;
DOI:10.1021/jo00335a014