TRIPROPARGYLAMINE

Base Information

• Chemical Name: TRIPROPARGYLAMINE
• CAS No.: 6921-29-5
• Molecular Formula: C9H9 N
• Molecular Weight: 131.177
• Hs Code.: 2921199090
• European Community (EC) Number: 230-038-5
• NSC Number: 76089
• UNII: 5E92GFJ1AJ
• DSSTox Substance ID: DTXSID8022244
• Nikkaji Number: J1.844I
• Wikidata: Q27261914
• ChEMBL ID: CHEMBL422532
• Mol file: 6921-29-5.mol

Synonyms:2-Propyn-1-amine,N,N-di-2-propynyl- (9CI); Tri-2-propynylamine (6CI,7CI,8CI); NSC 76089;Tripropargylamine

Chemical Property of TRIPROPARGYLAMINE

Chemical Property:

• Vapor Pressure: 0.328mmHg at 25°C
• Refractive Index: n20/D 1.484(lit.)
• Boiling Point: 79-85 °C11 mm Hg(lit.)
• PKA: 2.86±0.50(Predicted)
• Flash Point: 135 °F
• PSA: 3.24000
• Density: 0.927 g/mL at 25 °C(lit.)
• LogP: 0.18800
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 131.073499291
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

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

Tripropargylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN(CC#C)CC#C
• Uses: Tripropargylamine is used as pharmaceutical intermediate.

Technology Process of TRIPROPARGYLAMINE

There total 3 articles about TRIPROPARGYLAMINE 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: 61.0%

propargyl bromide (106-96-7) → tripopargylamine (6921-29-5)

Guidance literature:

With ammonium hydroxide; In water; at 20 - 50 ℃; for 75h; Schlenk technique;

DOI:10.1021/acs.organomet.6b00082

Reference yield:

propargyl bromide (106-96-7) → dipropargylamine (6921-28-4) + tripopargylamine (6921-29-5)

Guidance literature:

With ammonia; water;

Reference yield:

→ tripopargylamine (6921-29-5)

Guidance literature:

propargyl chloride, wss. NH3;

upstream raw materials:

propargyl bromide

Downstream raw materials:

tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine

tris[(1-cyclohexyl-1H-1,2,3-triazole-4-yl)methyl]amine

1-[2-deoxy-β-D-erythro-pentofuranosyl]3-{3-[bis(1-benzyl-1',2',3'-triazol-4-ylmethyl)amino]prop-1-ynyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

tris{[1-(2-bromophenyl)-1H-1,2,3-triazole-4-yl]methyl}amine

Refernces