2-Aminoethylmethyl sulfone

Base Information

• Chemical Name: 2-Aminoethylmethyl sulfone
• CAS No.: 49773-20-8
• Molecular Formula: C3H9NO2S
• Molecular Weight: 123.176
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID80198035
• Nikkaji Number: J1.943.257B
• Wikidata: Q72436843
• Mol file: 49773-20-8.mol

Synonyms:2-aminoethylmethyl sulfone;AEMS

Chemical Property of 2-Aminoethylmethyl sulfone

Chemical Property:

• Vapor Pressure: 1.27E-05mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 368.5°Cat760mmHg
• PKA: 7.02±0.10(Predicted)
• Flash Point: 176.7°C
• PSA: 68.54000
• Density: 1.223g/cm³
• LogP: 0.77080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.03539970
• Heavy Atom Count: 7
• Complexity: 120

Purity/Quality:

99%, ^*data from raw suppliers

2-(Methylsulfonyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CCN
• Uses: 2-(Methylsulfonyl)ethanamine is useful for the synthesis of potent and selective PI3Kδ inhibitors.

Technology Process of 2-Aminoethylmethyl sulfone

There total 15 articles about 2-Aminoethylmethyl sulfone 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: 90.0%

methanesulfonyl-acetonitrile (2274-42-2) → 2-Methanesulfonyl-ethylamine (49773-20-8)

Guidance literature:

methanesulfonyl-acetonitrile; With dimethylsulfide borane complex; In tetrahydrofuran; at 20 - 40 ℃; for 14h;

With methanol; In tetrahydrofuran; at 0 - 80 ℃; for 2h; Reflux;

Reference yield: 80.0%

2-<2-(methylsulfonyl)ethyl>-1H-isoindole-1,3(2H)dione → 2-Methanesulfonyl-ethylamine (49773-20-8)

Guidance literature:

With hydrazine; In ethanol; chloroform; at 0 - 20 ℃;

Reference yield: 77.89%

BH3·THF + methanesulfonyl-acetonitrile (2274-42-2) → 2-Methanesulfonyl-ethylamine (49773-20-8)

Guidance literature:

With hydrogenchloride; sodium methylate; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

2-chloroethyl methyl sulfone

(2-aminoethyl)methylsulfide

[2-(methylsulfonyl)ethyl]trifluoroacetamide

(2-methanesulfonyl-ethyl)-carbamic acid benzyl ester

Downstream raw materials:

4-(2-methanesulfonyl-ethylamino)-3-nitro-benzoic acid methyl ester

C₂₇H₂₄ClFN₄O₄S₂

C₂₇H₂₄ClFN₄O₃S₃

C₂₇H₂₄ClFN₄O₄S₂

Refernces

• 1、 Mao, Yongjun,Zhu, Wenxiu,Kong, Xiaoguang,Wang, Zhen,Xie, Hua,Ding, Jian,Terrett, Nicholas Kenneth,Shen, Jingkang. "Design, synthesis and biological evaluation of novel pyrimidine, 3-cyanopyridine and m-amino-N-phenylbenzamide based monocyclic EGFR tyrosine kinase inhibitors". . p. 3090 - 3104. Retrieved 2013/07/11.
• 2、 -. "THE NEW PREPARATION OF ALIPHATIC AMINES WITH SULPHONYL GROUP AND THEIR SALTS". Page/Page column 6. . Retrieved 2011/04/25.