1-Dimethylamino-2-pentyne

Base Information

• Chemical Name: 1-Dimethylamino-2-pentyne
• CAS No.: 7383-77-9
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.187
• European Community (EC) Number: 675-686-3
• DSSTox Substance ID: DTXSID70224332
• Nikkaji Number: J957.746G
• Mol file: 7383-77-9.mol

Synonyms:1-Dimethylamino-2-pentyne;7383-77-9;N,N-dimethylpent-2-yn-1-amine;2-Pentyn-1-amine,N,N-dimethyl-;dimethyl-pent-2-ynylamine;SCHEMBL936199;DTXSID70224332;XOJYPYPTLZUHAG-UHFFFAOYSA-N;MFCD00041631;AKOS006228604;FT-0607703;3-(PERFLUOROBUTYL)-2-HYDROXYPROPYLACRYLATE

Chemical Property of 1-Dimethylamino-2-pentyne

Chemical Property:

• Vapor Pressure: 8.19mmHg at 25°C
• Refractive Index: 1.4355
• Boiling Point: 134.2°Cat760mmHg
• PKA: 7.26±0.28(Predicted)
• Flash Point: 26.8°C
• Density: 0.825g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

1-DIMETHYLAMINO-2-PENTYNE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 11-34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CCN(C)C

Technology Process of 1-Dimethylamino-2-pentyne

There total 1 articles about 1-Dimethylamino-2-pentyne 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:

N,N-Dimethylpropargylamin (7223-38-3) + ethyl iodide (75-03-6) → 1-(dimethylamino)pent-2-yne (7383-77-9)

Guidance literature:

With ammonia; sodium amide;

Reference yield: 90.0%

Butadiyne (460-12-8,27987-87-7) + sodium hexafluoroantimonate (16925-25-0) + cis-[RuCl2(dppm)2] + 1-(dimethylamino)pent-2-yne (7383-77-9) → trans-[Cl(bis(diphenylphosphino)methane)2RuC3(NMe2)CH2C(C2H5)=C=CH2]SbF6

Guidance literature:

In 1,2-dichloro-benzene; byproducts: NaCl; (Ar); Ru and Sb complexes suspended in o-dichlorobenzene, excess HC4H added, amine added, stirred for 23 h at ambient conditions, immersed in anoil bath at 65°C, reacted for 23 h; filtered, evapd. (vac.), stirred with ether, dried (vac.); elem. anal.;

DOI:10.1021/om000925n

Reference yield: 80.0%

1-(dimethylamino)pent-2-yne (7383-77-9) + diphenyldisulfane (882-33-7) → (2Z)-N,N-dimethyl-2,3-bis(phenylsulfanyl)-2-penten-1-amine (1221441-13-9)

Guidance literature:

diphenyldisulfane; With bis(acetylacetonate)nickel(II); diphenyl(methyl)phosphine; at 20 ℃; Inert atmosphere;

1-(dimethylamino)pent-2-yne; at 100 ℃; for 8h; optical yield given as %de; stereoselective reaction; Inert atmosphere;

DOI:10.1002/chem.200902928

upstream raw materials:

N,N-Dimethylpropargylamin

ethyl iodide

Downstream raw materials:

(2Z)-N,N-dimethyl-2,3-bis(phenylsulfanyl)-2-penten-1-amine