1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine

Base Information

• Chemical Name: 1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
• CAS No.: 936940-34-0
• Molecular Formula: C₈H₁₅N₃
• Molecular Weight: 153.227
• Hs Code.: 2933199090
• European Community (EC) Number: 838-147-5
• DSSTox Substance ID: DTXSID60424349
• Mol file: 936940-34-0.mol

Synonyms:1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine;936940-34-0;1-(3,5-dimethylpyrazol-1-yl)propan-2-amine;SCHEMBL4318762;DTXSID60424349;MFCD04970167;STK349724;AKOS000266034;AKOS016040018;LS-02547;1-(2-aminopropyl)-3,5-dimethyl-pyrazole;CS-0252047;FT-0679290;EN300-58253;AB00997159-01;1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-propanamine;1-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-2-amine, AldrichCPR

Chemical Property of 1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine

Chemical Property:

• Vapor Pressure: 0.0285mmHg at 25°C
• Boiling Point: 245.6°C at 760 mmHg
• Flash Point: 102.3°C
• PSA: 43.84000
• Density: 1.07g/cm³
• LogP: 1.54740
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.126597491
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CC(C)N)C

Technology Process of 1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine

There total 3 articles about 1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-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:

C14H25BN2O2 → C8H15N3 (936940-34-0)

Guidance literature:

With potassium tert-butylate; H₂N-DABCO; In tetrahydrofuran; at 80 ℃; for 12h; Schlenk technique;

DOI:10.1002/anie.202016009

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → C8H15N3 (936940-34-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate / acetonitrile / 12 h / 100 °C

2: C₅₁H₆₂BN₃Si; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer / hexane / 12 h / 60 °C / Schlenk technique; Glovebox; Inert atmosphere

3: potassium tert-butylate; H₂N-DABCO / tetrahydrofuran / 12 h / 80 °C / Schlenk technique

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; potassium tert-butylate; C₅₁H₆₂BN₃Si; sodium hydrogencarbonate; H₂N-DABCO; In tetrahydrofuran; hexane; acetonitrile;

DOI:10.1002/anie.202016009

Reference yield:

3,5-dimethyl-1-propyl-1H-pyrazole (1124-02-3) → C8H15N3 (936940-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: C₅₁H₆₂BN₃Si; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer / hexane / 12 h / 60 °C / Schlenk technique; Glovebox; Inert atmosphere

2: potassium tert-butylate; H₂N-DABCO / tetrahydrofuran / 12 h / 80 °C / Schlenk technique

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; potassium tert-butylate; C₅₁H₆₂BN₃Si; H₂N-DABCO; In tetrahydrofuran; hexane;

DOI:10.1002/anie.202016009

upstream raw materials:

3,5-dimethyl-1H-pyrazole

3,5-dimethyl-1-propyl-1H-pyrazole

Refernces