1-Iodo-3-methoxypropane

Base Information

• Chemical Name: 1-Iodo-3-methoxypropane
• CAS No.: 61542-10-7
• Molecular Formula: C4H9IO
• Molecular Weight: 200.019
• European Community (EC) Number: 823-644-1
• DSSTox Substance ID: DTXSID20542876
• Nikkaji Number: J401.946F
• Wikidata: Q82419673
• Mol file: 61542-10-7.mol

Synonyms:1-Iodo-3-methoxypropane;61542-10-7;1-IODO-3-METHOXY-PROPANE;MFCD11858297;1-Methoxy-3-jodpropan;1-iodo-3-methoxy propane;SCHEMBL1818509;DTXSID20542876;DFNCRJSFSDJOBT-UHFFFAOYSA-N;AKOS014115914;SB37943;BS-53074;SY271572;E78582;EN300-1719890;A1-02719

Chemical Property of 1-Iodo-3-methoxypropane

Chemical Property:

• PSA: 9.23000
• LogP: 1.45790
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 199.96981
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

97% ^*data from raw suppliers

1-Iodo-3-methoxy-propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCI

Technology Process of 1-Iodo-3-methoxypropane

There total 5 articles about 1-Iodo-3-methoxypropane 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: 93.0%

3-bromopropanol methyl ether (36865-41-5) → 1-iodo-3-methoxypropane (61542-10-7)

Guidance literature:

With sodium iodide; In acetone; at 60 ℃; for 3h;

DOI:10.1021/acs.orglett.9b00590

Reference yield: 84.0%

→ 1-iodo-3-methoxypropane (61542-10-7)

Guidance literature:

Reference yield: 67.0%

3-methoxypropyl p-toluenesulfonate (54646-36-5) → 1-iodo-3-methoxypropane (61542-10-7)

Guidance literature:

With magnesium iodide; In diethyl ether;

upstream raw materials:

1-Chloro-3-methoxypropane

3-methoxypropyl p-toluenesulfonate

3-bromopropanol methyl ether

methoxypropanol

Downstream raw materials:

2-(3-methoxypropyl)cyclohexan-1-one

3-(4-methoxyphenyl)propyl methyl ether

3-methoxypropylbenzene

Refernces

• 1、 Wang, Bin,Gandamana, Dhika Aditya,Gagosz, Fabien,Chiba, Shunsuke. "Diastereoselective Intramolecular Hydride Transfer under Br?nsted Acid Catalysis". supporting information. p. 2298 - 2301. Retrieved 2019/03/29.
• 2、 -. "IMIDAZO[1,2-a]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES". Page/Page column 42. . Retrieved 2013/02/28.