Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride

Base Information

• Chemical Name: Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride
• CAS No.: 52413-48-6
• Molecular Formula: C6H16ClNO3S
• Molecular Weight: 217.717
• NSC Number: 202860
• DSSTox Substance ID: DTXSID30200430
• Mol file: 52413-48-6.mol

Synonyms:NSC 202860;Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride;3-(Dimethylamino)-N-propyl methane-sulfonate hydrochloride;52413-48-6;1-Propanol, 3-(dimethylamino)-, methanesulfonate (ester), hydrochloride;C6H15NO3S.ClH;DTXSID30200430;C6-H15-N-O3-S.Cl-H;Methanesulfonic acid, hydrochloride;WLN: WS1&O3N1&1 &GH;NSC202860;NSC-202860;LS-90322;1-Propanol, methanesulfonate (ester), hydrochloride

Chemical Property of Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 288.3°Cat760mmHg
• Flash Point: 128.2°C
• Density: 1.117g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 217.0539422
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCOS(=O)(=O)C.Cl

Technology Process of Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride

There total 1 articles about Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride 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: 100.0%

3-Dimethylamino-1-propanol (3179-63-3) + methanesulfonyl chloride (124-63-0) → 3-(N,N'-dimethylamino)propyl methanesulfonate hydrochloride (52413-48-6)

Guidance literature:

In dichloromethane; for 6h; Ambient temperature;

DOI:10.1021/ja9725256

Reference yield: 56.0%

3-(N,N'-dimethylamino)propyl methanesulfonate hydrochloride (52413-48-6) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-[3-(dimethylamino)propoxy]benzaldehyde (26934-35-0)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/ja058610s

Reference yield: 33.0%

2-methoxy-10H-phenothiazine (1771-18-2) + 3-(N,N'-dimethylamino)propyl methanesulfonate hydrochloride (52413-48-6) → 2-methoxypromazine (61-01-8)

Guidance literature:

2-methoxy-10H-phenothiazine; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃;

3-(N,N'-dimethylamino)propyl methanesulfonate hydrochloride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2020.152582

upstream raw materials:

3-Dimethylamino-1-propanol

methanesulfonyl chloride

Downstream raw materials:

1,3-bis(propargyloxymethyl)-5-<3-(N,N'-dimethylamino)propoxy>benzene

4-[3-(dimethylamino)propoxy]benzaldehyde

2-methoxypromazine