2-Methyl-2-(methylsulfonyl)propanenitrile

Base Information

• Chemical Name: 2-Methyl-2-(methylsulfonyl)propanenitrile
• CAS No.: 14668-29-2
• Molecular Formula: C5H9 N O2 S
• Molecular Weight: 147.198
• DSSTox Substance ID: DTXSID00163442
• Nikkaji Number: J1.448.967C
• Wikidata: Q83032325
• Mol file: 14668-29-2.mol

Synonyms:14668-29-2;2-Methanesulfonyl-2-methylpropanenitrile;2-Methyl-2-(methylsulfonyl)propanenitrile;Propanenitrile, 2-methyl-2-(methylsulfonyl)-;2-methyl-2-methylsulfonylpropanenitrile;SCHEMBL13278474;DTXSID00163442;MPXOEOMIERYCLI-UHFFFAOYSA-N;MFCD16766457;AKOS011762722;methyl-2-(methylsulfonyl)propionitrile;AS-39714;2-Methyl-2-(methylsulfonyl)propiononitrile;CS-0046954;EN300-622269;Z991513518

Chemical Property of 2-Methyl-2-(methylsulfonyl)propanenitrile

Chemical Property:

• Vapor Pressure: 0.000411mmHg at 25°C
• Boiling Point: 316.4°Cat760mmHg
• Flash Point: 145.2°C
• PSA: 66.31000
• Density: 1.172g/cm³
• LogP: 1.41398
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.03539970
• Heavy Atom Count: 9
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

2-Methanesulfonyl-2-Methylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)S(=O)(=O)C

Technology Process of 2-Methyl-2-(methylsulfonyl)propanenitrile

There total 3 articles about 2-Methyl-2-(methylsulfonyl)propanenitrile 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%

methyl iodide (74-88-4) + methanesulfonyl-acetonitrile (2274-42-2) → 2-methyl-2-(methylsulfonyl)propanenitrile (14668-29-2)

Guidance literature:

methanesulfonyl-acetonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.333333h;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 25 ℃; for 21.5h;

Reference yield:

2-methyl-2-methylsulfanyl-propanenitrile (10074-86-9) → 2-methyl-2-(methylsulfonyl)propanenitrile (14668-29-2)

Guidance literature:

With peracetic acid; molybdenyl acetonylacetonate; In benzene; at 20 ℃; for 24h;

Reference yield:

→ 2-methyl-2-(methylsulfonyl)propanenitrile (14668-29-2)

Guidance literature:

2-Methyl-2-(methylthio)-propionitril, Peressigsaeure;

DOI:10.1021/jf60148a007

upstream raw materials:

2-methyl-2-methylsulfanyl-propanenitrile

methyl iodide

methanesulfonyl-acetonitrile

Downstream raw materials:

C₂₄H₃₁FN₂O₄S₂

(R)-N-((2R)-2-(5-bromo-2-fluorophenyl)-1-((2-cyanopropan-2-yl)sulfonyl)-3-fluoropropan-2-yl)-2-methylpropane-2-sulfinamide

(R)-N-((2S)-2-(5-bromo-2-fluorophenyl)-1-((2-cyanopropan-2-yl)sulfonyl)-3-fluoropropan-2-yl)-2-methylpropane-2-sulfinamide

N-(1-((2-cyanopropan-2-yl)sulfonyl)-2-(2-fluoro-5-nitrophenyl)propan-2-yl)-2-methylpropane-2-sulfinamide

Refernces

• 1、 -. "COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS". Page/Page column 137; 138. . Retrieved 2016/11/17.
• 2、 -. "AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE". Page/Page column. . Retrieved 2014/05/07.