N-phenylpyrrolidine-1-carbothioamide

Base Information

• Chemical Name: N-phenylpyrrolidine-1-carbothioamide
• CAS No.: 18792-49-9
• Molecular Formula: C11H14 N2 S
• Molecular Weight: 206.312
• Hs Code.: 2933990090
• European Community (EC) Number: 665-345-7
• NSC Number: 124002
• DSSTox Substance ID: DTXSID90940269
• Nikkaji Number: J947.778K
• Mol file: 18792-49-9.mol

Synonyms:N-phenylpyrrolidine-1-carbothioamide;18792-49-9;Pyrrolidine-1-carbothioic acid phenylamide;N-phenyl-1-pyrrolidinecarbothioamide;NSC124002;SCHEMBL11179944;DTXSID90940269;HMS1586J13;MFCD00030537;STK137644;AKOS002710416;NSC-124002;CL-69975;N-Phenylpyrrolidine-1-carboximidothioic acid

Chemical Property of N-phenylpyrrolidine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 0.000666mmHg at 25°C
• Boiling Point: 308.8°Cat760mmHg
• Flash Point: 140.6°C
• PSA: 47.36000
• Density: 1.241g/cm³
• LogP: 2.49010
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99%min ^*data from raw suppliers

1-(N-PHENYLTHIOCARBAMOYL)PYRROLIDINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=S)NC2=CC=CC=C2

Technology Process of N-phenylpyrrolidine-1-carbothioamide

There total 7 articles about N-phenylpyrrolidine-1-carbothioamide 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: 99.0%

pyrrolidine (123-75-1) + phenyl isothiocyanate (103-72-0) → pyrrolidine-1-carbothioic acid phenylamide (18792-49-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/ol006465b

Reference yield: 93.0%

pyrrolidine (123-75-1) + aniline (62-53-3) + bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione (4314-19-6) → pyrrolidine-1-carbothioic acid phenylamide (18792-49-9)

Guidance literature:

aniline; bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione; In tetrahydrofuran; for 36h;

pyrrolidine; With triethylamine; In tetrahydrofuran; for 36h;

DOI:10.1021/jo035680d

Reference yield: 67.0%

1-(2-methylprop-1-en-1-yl)pyrrolidine (2403-57-8) + phenyl isothiocyanate (103-72-0) → pyrrolidine-1-carbothioic acid phenylamide (18792-49-9) + 2-Formyl-2-methyl-N-phenylpropionothioamid (84662-02-2) + Tetrahydro-5,5-dimethyl-3-phenyl-6-(phenylimino)-4-pyrrolidino-2H-1,3-thiazin-2-thion (84661-86-9)

Guidance literature:

for 72h;

upstream raw materials:

pyrrolidine

phenyl isothiocyanate

1-(2-methylprop-1-en-1-yl)pyrrolidine

aniline

Downstream raw materials:

2-(pyrrolidin-1-yl)benzo[d]thiazole

N-phenyl-N-((E)-(phenylimino)(pyrrolidin-1-yl)methyl)pyrrolidine-1-carbothioamide

C₂₂H₂₆N₄S

N-(1-iminoethyl)-N-phenylpyrrolidine-1-carbothioamide hydrobromide

Refernces

• 1、 -. "Method for preparing aryl isothiourea". Paragraph 0038. . Retrieved 2021/12/07.
• 2、 Singh, Karandeep,Sharma, Siddharth. "An isocyanide based multi-component reaction under catalyst- and solvent-free conditions for the synthesis of unsymmetrical thioureas". . p. 197 - 201. Retrieved 2016/12/28.