1-Piperidinethiocarboxamide

Base Information

• Chemical Name: 1-Piperidinethiocarboxamide
• CAS No.: 14294-09-8
• Molecular Formula: C6H12N2S
• Molecular Weight: 144.241
• Hs Code.: 2933399090
• European Community (EC) Number: 673-680-5
• NSC Number: 108222
• DSSTox Substance ID: DTXSID00364356
• Nikkaji Number: J441.094G
• Mol file: 14294-09-8.mol

Synonyms:piperidine-1-carbothioamide;1-Piperidinethiocarboxamide;14294-09-8;1-Piperidinecarbothioamide;NSC108222;piperidine thiocarboxamide;1-thiocarbamyl piperidine;1-Piperidinthiocarboxamide;1-piperi-dinecarbothioamide;Piperidine-1-thiocarboxamide;1-Piperidinecarbothioamide #;SCHEMBL1259911;SCHEMBL23143474;DTXSID00364356;HMS1782L18;MFCD00041230;STK398337;1-Piperidinecarbothioamide, AldrichCPR;AKOS000200295;LF-0530;NSC-108222;SB41113;BB 0218318;CS-0309265;FT-0608273;EN300-17170;A807990;Z56899022;F2135-0601

Chemical Property of 1-Piperidinethiocarboxamide

Chemical Property:

• Vapor Pressure: 0.0451mmHg at 25°C
• Melting Point: 128-130 °C
• Refractive Index: 1.593
• Boiling Point: 237.3 °C at 760 mmHg
• PKA: 16.34±0.20(Predicted)
• Flash Point: 97.3 °C
• PSA: 61.35000
• Density: 1.165 g/cm³
• LogP: 1.35410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.07211956
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

Piperidine-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/22:Harmful by inhalation and if swallowed.
• Hazard Codes: T
• Statements: 20/22-25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=S)N

Technology Process of 1-Piperidinethiocarboxamide

There total 15 articles about 1-Piperidinethiocarboxamide 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: 89.0%

piperidinylchloromethyleniminium chloride → piperidine-1-carbothioamide (14294-09-8)

Guidance literature:

With LiAlHSH; In tetrahydrofuran; at 0 ℃; for 3h;

DOI:10.1016/S0040-4039(01)01251-5

Reference yield: 87.0%

[Cu(N-2-fluorobenzoylpiperidine-1-carbothioimidate)2] + water (7732-18-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → [Cu2(2-fluorobenzoate)4(DMF)2] + piperidine-1-carbothioamide (14294-09-8)

Guidance literature:

[Cu(N-2-fluorobenzoylpiperidine-1-carbothioimidate)₂]; N,N-dimethyl-formamide; at 50 ℃;

water;

DOI:10.1016/j.ica.2013.06.029

Reference yield: 87.0%

piperidine (110-89-4) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → piperidine-1-carbothioamide (14294-09-8)

Guidance literature:

3-methyl-1-(methyldithiocarbonyl)imidazolium iodide; With ammonia; In ethanol; Heating;

piperidine; In ethanol; for 3h;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

piperidine

O-ethyl thiocarbamate

(piperidine-1-thiocarbonyl)-carbamic acid ethyl ester

1H-imidazole-1-carbodithioic acid methyl ester

Downstream raw materials:

N,N'-diphenyl-2-piperidin-1-yl-thiazole-4,5-diylidenediamine

4,5-bis-benzenesulfonylimino-2-piperidin-1-yl-4,5-dihydro-thiazole

piperidine-1-carbothioic acid 5,5-dimethyl-2-oxo-3-phenyl-thiazolidin-4-ylamide

1-(4-phenylthiazol-2-yl)piperidine

Refernces

• 1、 Koketsu, Mamoru,Fukuta, Yoshihisa,Ishihara, Hideharu. "Preparation of N,N-unsubstituted selenoureas and thioureas from cyanamides". . p. 6333 - 6335. Retrieved 2001.
• 2、 Richter, Adrian,Narula, Gagandeep,Rudolph, Ines,Seidel, Rüdiger W.,Wagner, Christoph,Av-Gay, Yossef,Imming, Peter. "Efficient Synthesis of Benzothiazinone Analogues with Activity against Intracellular Mycobacterium tuberculosis". . . Retrieved 2021/12/27.
• 3、 -. "[1,2,4]-Dithiazoli(di)ne derivatives, inducers of gluthathione-S-transferase and NADPH quinone oxido-reductase, for prophylaxis and treatment of adverse conditions associated with cytotoxicity in general and apoptosis in particular". Page/Page column 6. . Retrieved 2008/06/13.