Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide

Base Information

• Chemical Name: Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide
• CAS No.: 77940-25-1
• Molecular Formula: C₁₂H₁₉N₅OS
• Molecular Weight: 281.382
• DSSTox Substance ID: DTXSID70228592
• Nikkaji Number: J71.022I
• Wikidata: Q83108606
• Mol file: 77940-25-1.mol

Synonyms:BRN 5097884;Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide;77940-25-1;((6-Methyl-4-piperidino-2-pyrimidinyl)thio)acetic acid hydrazide;Acetic acid, ((4-methyl-6-(1-piperidinyl)-2-pyrimidinyl)thio)-, hydrazide;Oprea1_809399;C12H19N5OS;DTXSID70228592;C12-H19-N5-O-S;(6-Methyl-4-piperidino-2-pyrimidinylthio)acetic acid hydrazide

Chemical Property of Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide

Chemical Property:

• Vapor Pressure: 3.75E-12mmHg at 25°C
• Boiling Point: 550.2°Cat760mmHg
• Flash Point: 286.5°C
• Density: 1.3g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 281.13103142
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SCC(=O)NN)N2CCCCC2

Technology Process of Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide

There total 4 articles about Acetic acid, ((6-methyl-4-piperidino-2-pyrimidinyl)thio)-, hydrazide 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: 91.0%

(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-acetic acid methyl ester (77940-21-7) → (4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-acetic acid hydrazide (77940-25-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 15 - 20 ℃; for 3h;

DOI:10.1007/BF00773091

Reference yield:

piperidine (110-89-4) → (4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-acetic acid hydrazide (77940-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / Na₂CO₃ / methanol / 2 h / Heating

2: 91 percent / hydrazine hydrate / ethanol / 3 h / 15 - 20 °C

With sodium carbonate; hydrazine hydrate; In methanol; ethanol;

DOI:10.1007/BF00773091

Reference yield:

2-chloro-4-methyl-6-piperidinopyrimidine (62968-34-7) → (4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-acetic acid hydrazide (77940-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / Et₃N / 3 h / Heating

2: 91 percent / hydrazine hydrate / ethanol / 3 h / 15 - 20 °C

With hydrazine hydrate; triethylamine; In ethanol;

DOI:10.1007/BF00773091

upstream raw materials:

(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanyl)-acetic acid methyl ester

piperidine

2-chloro-4-methyl-6-piperidinopyrimidine

(6-Methyl-4-chloro-2-pyrimidinylthio)acetate

Refernces