1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine
• CAS No.: 27280-97-3
• Molecular Formula: C8H13 N3 O2 S
• Molecular Weight: 215.276
• Hs Code.: 2934999090
• European Community (EC) Number: 840-646-8
• DSSTox Substance ID: DTXSID30378204
• Nikkaji Number: J2.869.327C
• Mol file: 27280-97-3.mol

Synonyms:27280-97-3;1-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-3-METHYL-1H-PYRAZOL-5-AMINE;1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazol-5-amine;2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-amine;MFCD05668167;SCHEMBL4900829;DTXSID30378204;JAHOJHPUWJXETC-UHFFFAOYSA-N;CBA28097;STK783353;AKOS000263990;AKOS016039821;CCG-122798;SB74111;BS-37619;EN300-09040;Z55992953;F1958-0022;3-(5-amino-3-methyl-1H-pyrazol-1-yl)-1lambda-thiolane-1,1-dione;3-(5-amino-3-methyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione;3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene1,1-dioxide;1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-amine;1-[(Tetrahydrothiophene 1,1-dioxide)-3-yl]-3-methyl-1H-pyrazole-5-amine;1H-Pyrazol-5-amine, 3-methyl-1-(tetrahydro-3-thienyl)-, S,S-dioxide;3-(5-Amino-3-methyl-1H-pyrazol-1-yl)-1lambda~6~-thiolane-1,1-dione;3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide;1-(1,1-Dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazol-5-amine, AldrichCPR

Chemical Property of 1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 1.19E-10mmHg at 25°C
• Melting Point: 211 °C(Solv: methanol (67-56-1))
• Boiling Point: 513.4°Cat760mmHg
• PKA: 3.55±0.19(Predicted)
• Flash Point: 264.3°C
• PSA: 86.36000
• Density: 1.58g/cm³
• LogP: 1.79530
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.07284784
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)C2CCS(=O)(=O)C2

Technology Process of 1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine

There total 4 articles about 1-(1,1-Dioxidotetrahydro-3-thienyl)-3-methyl-1H-pyrazol-5-amine 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:

Cyanoaceton (2469-99-0) + 2-(1,1-dioxotetrahydrothiophen-3-yl)hydrazine (3448-12-2) → 2-(1,1-dioxo-tetrahydro-1λ6-[3]thienyl)-5-methyl-2H-pyrazol-3-ylamine (27280-97-3)

Guidance literature:

With acetic acid; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2019.01.027

Reference yield:

3-Aminocrotononitrile (1118-61-2) + (1,1-Dioxo-tetrahydro-1λ6-thiophen-3-yl)-hydrazine hydrochloride → 2-(1,1-dioxo-tetrahydro-1λ6-[3]thienyl)-5-methyl-2H-pyrazol-3-ylamine (27280-97-3)

Guidance literature:

With acetic acid; In ethanol; at 75 ℃; for 18h;

DOI:10.1021/acschemneuro.7b00217

Reference yield:

2-(1,1-dioxotetrahydrothiophen-3-yl)hydrazine (3448-12-2) + buta-2,3-dienenitrile (1001-56-5) → 2-(1,1-dioxo-tetrahydro-1λ6-[3]thienyl)-5-methyl-2H-pyrazol-3-ylamine (27280-97-3)

Guidance literature:

With methanol; und Erwaermen des Reaktionsgemisches mit wss.HCl;

upstream raw materials:

2-(1,1-dioxotetrahydrothiophen-3-yl)hydrazine

buta-2,3-dienenitrile

3-Aminocrotononitrile

Cyanoaceton