2,2-Dimethylpropyl methanesulfonate

Base Information

• Chemical Name: 2,2-Dimethylpropyl methanesulfonate
• CAS No.: 16427-42-2
• Molecular Formula: C6H14 O3 S
• Molecular Weight: 166.241
• Hs Code.: 2904100000
• DSSTox Substance ID: DTXSID40936930
• Nikkaji Number: J549.620I
• Wikidata: Q82913132
• Mol file: 16427-42-2.mol

Synonyms:2,2-Dimethylpropyl methanesulfonate;16427-42-2;2,2-DIMETHYLPROPYLMETHANESULPHONATE;1-Propanol, 2,2-dimethyl-, 1-methanesulfonate;SCHEMBL822934;DTXSID40936930;AKOS026735629;2,2-Dimethyl-1-propanol methanesulfonate;2,2-DIMETHYLPROPYLMETHANESULFONATE;1-Propanol, 2,2-dimethyl-, methanesulfonate;Methanesulfonic acid 2,2-dimethylpropyl ester;EN300-189854

Chemical Property of 2,2-Dimethylpropyl methanesulfonate

Chemical Property:

• Vapor Pressure: 0.0429mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 246.3°C at 760 mmHg
• Flash Point: 102.8°C
• PSA: 65.58000
• Density: 1.072g/cm³
• LogP: 2.04860
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.06636548
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

2,2-dimethylpropylmethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)COS(=O)(=O)C

Technology Process of 2,2-Dimethylpropyl methanesulfonate

There total 10 articles about 2,2-Dimethylpropyl methanesulfonate 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: 92.8%

2,2-dimethyl-propanol-1 (75-84-3) + methanesulfonyl chloride (124-63-0) → methanesulfonic acid 2,2-dimethyl-propyl ester (16427-42-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield: 60.0%

((neopentyloxy)sulfonyl)acetic acid (170801-36-2) → methanesulfonic acid 2,2-dimethyl-propyl ester (16427-42-2)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 2h; Heating;

DOI:10.1021/jo9610366

Reference yield:

Neopentyl tresylate → methanesulfonic acid 2,2-dimethyl-propyl ester (16427-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 0.5 M NaOH / H₂O; dioxane

2: 60 percent / NaOH / H₂O; dioxane / 2 h / Heating

With sodium hydroxide; In 1,4-dioxane; water;

DOI:10.1021/jo9610366

upstream raw materials:

2,2-dimethyl-propanol-1

methanesulfonyl chloride

((neopentyloxy)sulfonyl)acetic acid

2,2-Bis-benzylsulfanyl-ethenesulfonic acid 2,2-dimethyl-propyl ester

Downstream raw materials:

Neopentyl-2-p-tolyl-aethansulfonat

neopentyl phenyl sulphide

6-methoxy-3-nitro-2-picoline

2,2-dimethyl-1-propyl phenyl selenide

Refernces

• 1、 Robertson,Laughton. "-". . p. 1319,1322. Retrieved 1957.
• 2、 -. "HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL)". Page/Page column 222; 223. . Retrieved 2020/10/21.
• 3、 -. "HERBICIDAL COMPOSITIONS". Page/Page column 53. . Retrieved 2020/08/28.