4-(2-Piperidinoethyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(2-Piperidinoethyl)-3-thiosemicarbazide
• CAS No.: 32806-53-4
• Molecular Formula: C₈H₁₈N₄S
• Molecular Weight: 202.324
• Hs Code.: 2933399090
• European Community (EC) Number: 673-678-4
• DSSTox Substance ID: DTXSID70375171
• Wikidata: Q82163701
• Mol file: 32806-53-4.mol

Synonyms:4-(2-Piperidinoethyl)-3-thiosemicarbazide;32806-53-4;1-amino-3-(2-piperidin-1-ylethyl)thiourea;3-amino-1-[2-(piperidin-1-yl)ethyl]thiourea;C8H18N4S;SCHEMBL5469432;DTXSID70375171;ZGBPPUPQXGCBLN-UHFFFAOYSA-N;MFCD00041231;AKOS010783511;FT-0682126;A821426;N-[2-(Piperidin-1-yl)ethyl]hydrazinecarbothioamide;4-(2-piperidinoethyl)-3-thiosemicarbazide, AldrichCPR

Chemical Property of 4-(2-Piperidinoethyl)-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Melting Point: 121 °C
• Refractive Index: 1.572
• Boiling Point: 326.9°Cat760mmHg
• PKA: 10.71±0.70(Predicted)
• Flash Point: 151.5°C
• PSA: 85.41000
• Density: 1.137g/cm³
• LogP: 1.23010
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.12521776
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Piperidinoethyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCNC(=S)NN
• Uses: 4-(2-Piperidinoethyl)-3-thiosemicarbazide is one of the reactants in preparation of bis(thiosemicarbazonato) Cu(II) as potential cancer theranostics.

Technology Process of 4-(2-Piperidinoethyl)-3-thiosemicarbazide

There total 3 articles about 4-(2-Piperidinoethyl)-3-thiosemicarbazide 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: 85.0%

1-(2-isothiocyanatoethyl)piperidine (32813-24-4) → 4-(2-(piperidin-1-yl)ethyl)-3-thiosemicarbazide (32806-53-4)

Guidance literature:

With hydrazine; In methanol; for 24h; Ambient temperature;

DOI:10.1016/0223-5234(96)88215-8

Reference yield:

1-(2-aminoethyl)piperidine (27578-60-5) + hydrazinecarbodithioic acid methyl ester (5397-03-5) → 4-(2-(piperidin-1-yl)ethyl)-3-thiosemicarbazide (32806-53-4)

Guidance literature:

In water; for 0.75h; Heating;

DOI:10.1021/jm00347a006

Reference yield:

→ 4-(2-(piperidin-1-yl)ethyl)-3-thiosemicarbazide (32806-53-4)

Guidance literature:

entspr. Isothiocyanat, Hydrazin;

upstream raw materials:

1-(2-aminoethyl)piperidine

hydrazinecarbodithioic acid methyl ester

1-(2-isothiocyanatoethyl)piperidine

Downstream raw materials:

C₂₀H₃₈N₈S₂

Refernces

• 1、 Murdock,Child,Lin,Warren,Fabio,Lee,Izzo,Lang Jr.,Angier,Citarella,Wallace,Durr. "Antitumor agents. 2. Bisguanylhydrazones of anthracene-9,10-dicarboxaldehydes". . p. 505 - 518. Retrieved 2007/10/02.