N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide

Base Information

• Chemical Name: N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide
• CAS No.: 13511-89-2
• Molecular Formula: C8H10 N2 O S
• Molecular Weight: 182.246
• NSC Number: 171502
• DSSTox Substance ID: DTXSID70305711
• Wikidata: Q82052433
• Mol file: 13511-89-2.mol

Synonyms:13511-89-2;N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide;S-Pyridin-3-yl dimethylcarbamothioate;S-pyridin-3-yl N,N-dimethylcarbamothioate;3-(dimethylaminocarbonylthio)pyridine;NSC171502;SCHEMBL3079918;DTXSID70305711;LJUACVJOFBXXSG-UHFFFAOYSA-N;s-pyridin-3-yldimethylcarbamothioate;S-(3-pyridinyl) dimethylthiocarbamate;AKOS016011664;NSC-171502;CS-0253451;EN300-64421;CARBAMOTHIOIC ACID,DIMETHYL-, S-3-PYRIDINYL ESTER (9CI)

Chemical Property of N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide

Chemical Property:

• Vapor Pressure: 0.00162mmHg at 25°C
• Boiling Point: 294.4°Cat760mmHg
• Flash Point: 131.9°C
• PSA: 58.50000
• Density: 1.21g/cm³
• LogP: 1.85530
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 182.05138412
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)SC1=CN=CC=C1

Technology Process of N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide

There total 4 articles about N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide 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: 77.0%

O-pyridin-3-yl-dimethylcarbamothioate (13522-56-0) → 3-(dimethylaminocarbonylthio)pyridine (13511-89-2)

Guidance literature:

In diphenylether; at 260 ℃; for 2h; Heating / reflux;

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) → 3-(dimethylaminocarbonylthio)pyridine (13511-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: copper-powder; propane-1,2-diol; potassium hydrogensulfide / 175 °C

2: triethylamine; benzene

With propylene glycol; copper; potassium hydrosulfide; triethylamine; benzene;

DOI:10.1021/ja01147a099

Reference yield:

pyridine-3-thiol (16133-26-9) + N,N-Dimethylcarbamoyl chloride (79-44-7) → 3-(dimethylaminocarbonylthio)pyridine (13511-89-2)

Guidance literature:

With triethylamine; benzene;

DOI:10.1021/ja01147a099

upstream raw materials:

pyridine-3-thiol

N,N-Dimethylcarbamoyl chloride

3-Bromopyridine

O-pyridin-3-yl-dimethylcarbamothioate

Downstream raw materials:

pyridine-3-thiol

1-benzyl-3-dimethylcarbamoylsulfanyl-pyridinium; bromide

Refernces

• 1、 -. "CARBACEPHEM β-LACTAM ANTIBIOTICS". Page/Page column 84-85. . Retrieved 2009/05/30.