3-tert-Butylsulfanyl-pyridin-2-ylamine

Base Information

• Chemical Name: 3-tert-Butylsulfanyl-pyridin-2-ylamine
• CAS No.: 551950-47-1
• Molecular Formula: C9H14N2S
• Molecular Weight: 182.29
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80590318
• Wikidata: Q82484037
• Mol file: 551950-47-1.mol

Synonyms:3-tert-Butylsulfanyl-pyridin-2-ylamine;551950-47-1;3-(tert-Butylthio)pyridin-2-amine;3-tert-butylsulfanylpyridin-2-amine;2-pyridinamine, 3-[(1,1-dimethylethyl)thio]-;3-(tert-butylsulfanyl)pyridin-2-amine;SCHEMBL3074012;DTXSID80590318;3-tert-Butylsulfanylpyridin-2-ylamine;AKOS006343536;PB18676;AS-34161;DB-029525;CS-0051803;3-[(1,1-Dimethylethyl)thio]-2-pyridinamine;A830519;3-tert-Butylsulfanyl-pyridin-2-ylamine, AldrichCPR;51950-47-1

Chemical Property of 3-tert-Butylsulfanyl-pyridin-2-ylamine

Chemical Property:

• Vapor Pressure: 0.00294mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 284.7°C at 760 mmHg
• Flash Point: 126°C
• PSA: 64.21000
• Density: 1.09g/cm³
• LogP: 3.13560
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 182.08776963
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-tert-Butylsulfanyl-pyridin-2-ylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)SC1=C(N=CC=C1)N

Technology Process of 3-tert-Butylsulfanyl-pyridin-2-ylamine

There total 1 articles about 3-tert-Butylsulfanyl-pyridin-2-ylamine 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: 44.0%

C10H12N2OS (1147849-37-3) → 3-(tertbutylthio)pyridin-2-amine (551950-47-1)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 1h; Heating / reflux;

Reference yield: 95.0%

3-(tertbutylthio)pyridin-2-amine (551950-47-1) → 2-aminopyridine-3-thiol (110402-20-5)

Guidance literature:

With hydrogenchloride; In water; for 14h; Reflux;

DOI:10.1021/acs.jmedchem.5b01627

Reference yield:

3-(tertbutylthio)pyridin-2-amine (551950-47-1) → 1-(thiazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-ol

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 14 h / Reflux

2.1: acetyl chloride / ethanol; chloroform / 2.5 h / 0 - 20 °C / Inert atmosphere

2.2: 8 h / 80 °C / Inert atmosphere; Sealed tube

With hydrogenchloride; acetyl chloride; In ethanol; chloroform; water;

DOI:10.1021/acs.jmedchem.5b01627

upstream raw materials:

C₁₀H₁₂N₂OS

Downstream raw materials:

2-aminopyridine-3-thiol

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