N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea

Base Information

• Chemical Name: N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea
• CAS No.: 57723-01-0
• Molecular Formula: C₁₃H₁₉N₃S
• Molecular Weight: 249.38
• DSSTox Substance ID: DTXSID20401373
• NSC Number: 204785

Synonyms:57723-01-0;NSC204785;N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea;DTXSID20401373;NSC-204785

Chemical Property of N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Boiling Point: 370.9°C at 760 mmHg
• Flash Point: 178.1°C
• Density: 1.179g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 249.12996879
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea

There total 1 articles about N-Phenyl-N'-[2-(pyrrolidin-1-yl)ethyl]thiourea 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:

1-(2-aminoethyl)pyrrolidine (7154-73-6) + phenyl isothiocyanate (103-72-0) → 1-phenyl-3-(2-pyrrolidin-1-yl-ethyl)-thiourea (57723-01-0)

Guidance literature:

With diethyl ether;

Reference yield:

1-phenyl-3-(2-pyrrolidin-1-yl-ethyl)-thiourea (57723-01-0) + chloroacetic acid (79-11-8) → 2-phenylimino-3-(2-pyrrolidin-1-yl-ethyl)-thiazolidin-4-one (1147841-14-2)

Guidance literature:

With sodium acetate; In ethanol; for 12h; Reflux;

DOI:10.1021/jm8015602

Reference yield:

1-phenyl-3-(2-pyrrolidin-1-yl-ethyl)-thiourea (57723-01-0) + 2-Chloromethylbenzoyl chloride (42908-86-1) → 4-phenyl-3-(2-pyrrolidin-1-yl-ethylimino)-3,4-dihydro-1H-benzo[e][1,3]thiazepin-5-one (57723-12-3) + 4-phenyl-2-(2-pyrrolidin-1-yl-ethyl)-3-thioxo-2,3,4,5-tetrahydro-benzo[e][1,3]diazepin-1-one (57723-13-4)

Guidance literature:

With sodium carbonate; In acetone;

DOI:10.1248/cpb.23.1764

upstream raw materials:

1-(2-aminoethyl)pyrrolidine

phenyl isothiocyanate

Downstream raw materials:

4-phenyl-3-(2-pyrrolidin-1-yl-ethylimino)-3,4-dihydro-1H-benzo[e][1,3]thiazepin-5-one

4-phenyl-2-(2-pyrrolidin-1-yl-ethyl)-3-thioxo-2,3,4,5-tetrahydro-benzo[e][1,3]diazepin-1-one

2-phenylimino-3-(2-pyrrolidin-1-yl-ethyl)-thiazolidin-4-one

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