3-Dimethylamino-1-propyne

Base Information

• Chemical Name: 3-Dimethylamino-1-propyne
• CAS No.: 7223-38-3
• Molecular Formula: C5H9 N
• Molecular Weight: 83.1332
• Hs Code.: 2921199090
• European Community (EC) Number: 230-620-9
• UNII: 9GXD8EZV6L
• DSSTox Substance ID: DTXSID0064599
• Nikkaji Number: J35.157A
• Wikidata: Q81991685
• Mol file: 7223-38-3.mol

Synonyms:3-dimethylamino-1-propyne

Chemical Property of 3-Dimethylamino-1-propyne

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 81mmHg at 25°C
• Melting Point: 18°C (estimate)
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 81.7°Cat760mmHg
• PKA: 7.45±0.28(Predicted)
• Flash Point: °C
• PSA: 3.24000
• Density: 0.814g/cm³
• LogP: 0.18120
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• Water Solubility.: Fully miscible in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 83.073499291
• Heavy Atom Count: 6
• Complexity: 65.3

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): FC
• Hazard Codes: F,C
• Statements: 11-20/21/22-34-21/22
• Safety Statements: 16-26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CN(C)CC#C
• Uses: 1-Dimethylamino-2-propyne is used in the synthesis of core shell systems based on noble metal nanoparticles coated by copolymers (polyacetylenes).

Technology Process of 3-Dimethylamino-1-propyne

There total 20 articles about 3-Dimethylamino-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: 78.0%

Dimethylcarbamoylmethyl-dimethyl-prop-2-ynyl-ammonium; bromide (102990-46-5) → N,N-Dimethylpropargylamin (7223-38-3) + 2-(dimethylamino)-N,N-dimethylacetamide (13574-14-6) + 2-Dimethylamino-penta-3,4-dienoic acid dimethylamide (102990-52-3)

Guidance literature:

With potassium hydroxide; In benzene; at 40 - 45 ℃; for 0.25h;

Reference yield: 75.0%

Dimethyl-(1-naphthalen-1-ylethynyl-but-3-enyl)-prop-2-ynyl-ammonium; bromide → N,N-Dimethylpropargylamin (7223-38-3) + vinylnaphthalacetone + 2,2-dimethyl-1-allyl-naphtisoindolenium bromide

Guidance literature:

With potassium hydroxide; In water; at 45 - 50 ℃; for 0.75h;

DOI:10.1007/BF01165010

Reference yield: 70.0%

C9H14NO(1+)*Cl(1-) (1093102-41-0) → N,N-Dimethylpropargylamin (7223-38-3) + 1,3,5-triacetylbenzene (779-90-8)

Guidance literature:

With potassium hydroxide; In water; for 4h; Heating;

DOI:10.1134/s1070363208020291

upstream raw materials:

2-bromo-N,N-dimethyl-allylamine

dimethyl amine

propargyl bromide

formaldehyd

Downstream raw materials:

4-dimethylamino-2-butyn-1-ol

4-dimethylamino-1,1-diphenyl-but-2-yn-1-ol

4-dimethylamino-1-phenyl-but-2-yn-1-one

6-dimethylamino-1,1-diphenyl-hexa-2,4-diyn-1-ol

Refernces

• 1、 Zhang, Zhe,Li, Kang,Zhang, Guang-Yu,Tang, You-Zhi,Jin, Zhen. "Design, synthesis and biological activities of novel pleuromutilin derivatives with a substituted triazole moiety as potent antibacterial agents". . . Retrieved 2020/07/30.
• 2、 Settypalli, Triloknadh,Chunduri, Venkata Rao,Maddineni, Aruna Kumari,Begari, Nagaraju,Allagadda, Rajasekhar,Kotha, Peddanna,Chippada, Appa Rao. "Design, synthesis,: In silico docking studies and biological evaluation of novel quinoxaline-hydrazide hydrazone-1,2,3-triazole hybrids as α-glucosidase inhibitors and antioxidants". . p. 15435 - 15452. Retrieved 2019/10/08.