3-Methylbutyl tosylate

Base Information

• Chemical Name: 3-Methylbutyl tosylate
• CAS No.: 2431-75-6
• Molecular Formula: C12H18O3S
• Molecular Weight: 242.339
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID00574796
• Nikkaji Number: J953.255B
• Wikidata: Q72489034
• Mol file: 2431-75-6.mol

Synonyms:3-methylbutyl tosylate;2431-75-6;isopentyl 4-methylbenzenesulfonate;ISOAMYL P-TOLUENESULFONATE;3-methylbutyl 4-methylbenzenesulfonate;3-Methylbutyl 4-methylbenzene-1-sulfonate;4-methylbenzenesulfonic acid 3-methylbutyl ester;Isoamyl-p-toluenesulfonate;isoamyl tosylate;SCHEMBL6323071;DTXSID00574796;MFCD09952020;AKOS015889855;AS-15840;3-(4-Carbamoyl-piperidin-1-yl)-propionicacid;F11749;EN300-7185647;A817221;A856609

Chemical Property of 3-Methylbutyl tosylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 343.944 °C at 760 mmHg
• Flash Point: 161.812 °C
• PSA: 51.75000
• Density: 1.100 g/cm³
• LogP: 3.82720
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.09766561
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

Isopentyl4-methylbenzenesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)C

Technology Process of 3-Methylbutyl tosylate

There total 3 articles about 3-Methylbutyl tosylate 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: 88.0%

i-Amyl alcohol (123-51-3) + p-toluenesulfonyl chloride (98-59-9) → isoamyl tosylate (2431-75-6)

Guidance literature:

With potassium iodide; silver(l) oxide; In dichloromethane; at 40 ℃;

DOI:10.1016/S0040-4039(01)01913-X

Reference yield: 72.76%

→ isoamyl tosylate (2431-75-6)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 60.0%

i-Amyl alcohol (123-51-3) + N,N-dimethyl-1-(p-tolylsulfonyl)pyridin-1-ium-4-amine chloride (72973-25-2) → isoamyl tosylate (2431-75-6)

Guidance literature:

In dichloromethane; at 20 ℃; Green chemistry;

DOI:10.1016/j.tetlet.2016.09.010

upstream raw materials:

i-Amyl alcohol

p-toluenesulfonyl chloride

N,N-dimethyl-1-(p-tolylsulfonyl)pyridin-1-ium-4-amine chloride

Downstream raw materials:

5-(N,N-dibenzylglycyl)-2-(3-methylbutyloxy)benzamide

3-methylbutyl phenyl sulfide

i-Amyl alcohol

ethyl 2-(3-(4-((4’-(isopentyloxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl)methoxy)phenyl)oxetan-3-yl)acetate

Refernces

• 1、 -. "Method for preparing N,N-Dimethylaniline compound through alkylation of alkyl tosylate". Paragraph 0085; 0086. . Retrieved 2019/07/11.
• 2、 Feng, Simin,Li, Jing,Wei, Junfa. "Ionic liquid brush as an efficient and reusable heterogeneous catalytic assembly for the tosylation of phenols and alcohols in neat water". supporting information. p. 4743 - 4746. Retrieved 2017/07/12.