3-Dibutylamino-1-propyne

Base Information

• Chemical Name: 3-Dibutylamino-1-propyne
• CAS No.: 6336-58-9
• Molecular Formula: C11H21 N
• Molecular Weight: 167.294
• Hs Code.: 2921199090
• European Community (EC) Number: 675-697-3
• NSC Number: 38942
• DSSTox Substance ID: DTXSID70212754
• Nikkaji Number: J1.161.077C
• Wikidata: Q83087950
• Mol file: 6336-58-9.mol

Synonyms:3-Dibutylamino-1-propyne;6336-58-9;N-butyl-N-prop-2-ynylbutan-1-amine;74325 1-Butanamine,N-butyl-N-2-propyn-1-yl-;3-dibutylaminopropyne;Di-N-butylamino-1-propyne;NSC38942;N,N-Dibutylpropargylamine;di-n-butyl(propargyl)amine;N,N-dibutyl-2-propynylamine;SCHEMBL459799;3-(Di-n-butylamino)-1-propyne;DTXSID70212754;MFCD00041673;NSC 38942;NSC-38942;AKOS009061061;N-butyl-N-(prop-2-ynyl)butan-1-amine;N,N-Dibutyl-2-propyn-1-amine, AldrichCPR;N-butyl-N-(prop-2-yn-1-yl)butan-1-amine;CS-0362497;D2817;FT-0615595;D90117;4,5-dibromo-3-fluoro-2-thiophenecarboxylic acid methyl ester

Chemical Property of 3-Dibutylamino-1-propyne

Chemical Property:

• Vapor Pressure: 0.0913mmHg at 25°C
• Refractive Index: 1.4400
• Boiling Point: 87-89°C 19mm
• PKA: 7.61±0.50(Predicted)
• Flash Point: 87-89°C/19mm
• PSA: 3.24000
• Density: 0.831g/cm³
• LogP: 2.52180
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 167.167399674
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

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

3-Dibutylamino-1-propyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CC#C

Technology Process of 3-Dibutylamino-1-propyne

There total 7 articles about 3-Dibutylamino-1-propyne 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: 72.0%

dibutylamine (111-92-2) + propargyl bromide (106-96-7) → 3-(dibutylamino)-1-propyne (6336-58-9)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; Reflux;

DOI:10.1021/cc100029y

Reference yield:

dibutylamine (111-92-2) + propargyl alcohol (107-19-7) → 3-(dibutylamino)-1-propyne (6336-58-9)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In acetone; at -18 - 80 ℃; for 2h;

DOI:10.1016/0040-4039(95)02046-2

Reference yield:

→ 3-(dibutylamino)-1-propyne (6336-58-9)

Guidance literature:

With ammonia; sodium amide;

DOI:10.1021/ja01163a600

upstream raw materials:

formaldehyd

dibutylamine

acetylene

dibutyl(4-hydroxy-2-butynyl)amine

Downstream raw materials:

N,N-dibutylpent-2-yn-1-amine

C₂₂H₃₅N₅O₃

C₂₁H₃₂N₄O₃

dibutyl[(1-(4-chlorophenyl)-1,2,3-triazol-4-yl)methyl]amine

Refernces

• 1、 Xiong, Xingquan,Tang, Zhongke,Sun, Zhaohong,Meng, Xiaoqing,Song, Sida,Quan, Zhilong. "Supported copper (I) catalyst from fish bone waste: An efficient, green and reusable catalyst for the click reaction toward N-substituted 1,2,3-TRIAZOLES". . . Retrieved 2017/10/06.
• 2、 Acquaah-Harrison, George,Zhou, Shu,Hines, Jennifer V.,Bergmeier, Stephen C.. "Library of 1,4-disubstituted 1,2,3-triazole analogs of oxazolidinone RNA-binding agents". scheme or table. p. 491 - 496. Retrieved 2010/09/15.