2-Butyne

Base Information

• Chemical Name: 2-Butyne
• CAS No.: 503-17-3
• Molecular Formula: C4H6
• Molecular Weight: 54.0916
• European Community (EC) Number: 207-962-2
• UN Number: 1144
• UNII: LKE6D3018E
• DSSTox Substance ID: DTXSID3060116
• Nikkaji Number: J2.603D
• Wikipedia: 2-Butyne
• Wikidata: Q209336,Q83112587
• ChEMBL ID: CHEMBL119108
• Mol file: 503-17-3.mol

Synonyms:4-butyne;but-4-yne;dimethylacetylene

Chemical Property of 2-Butyne

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 745mmHg at 25°C
• Melting Point: -32 °C
• Boiling Point: 25.6°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.694g/cm³
• LogP: 1.02960
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 54.0469501914
• Heavy Atom Count: 4
• Complexity: 42.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): R12:Extremely flammable.; R36/37:Irritating to eyes and respiratory system.
• Hazard Codes: R12:Extremely flammable.; R36/37:Irritating to eyes and respiratory system.
• Statements: R12:Extremely flammable.; R36/37:Irritating to eyes and respiratory system.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S23:Do not inhale gas/fumes/vapour/spray.; S29:Do not empty

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC#CC

Technology Process of 2-Butyne

There total 141 articles about 2-Butyne 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: 100.0%

3,3'-dimethyl-3H,3'H-[3,3']bidiazirinyl → dimethylacetylene (503-17-3)

Guidance literature:

In chloroform; at 40 - 60 ℃;

DOI:10.1002/anie.200503124

Reference yield: 99.0%

1-Phenylprop-1-yne (673-32-5) → dimethylacetylene (503-17-3) + diphenyl acetylene (501-65-5)

Guidance literature:

With Mo(≡N)(OSiPh₃)₃(phen); manganese(ll) chloride; In toluene; at 80 ℃; for 3.5h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Molecular sieve;

Reference yield: 97.0%

(o-methoxyphenyl)-1-propyne (66021-98-5) → dimethylacetylene (503-17-3) + 2,2'-dimethoxytolane (5293-78-7)

Guidance literature:

With Mo(≡CPh)(OSiPh₃)₃.OEt₂; In toluene; at 20 ℃; for 2h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Molecular sieve;

upstream raw materials:

1-butylene

butene-2

but-1-yne

2,3-dibromobutane

Downstream raw materials:

7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one

1-Chloro-2,3-dimethyl-cycloprop-2-enecarbonyl chloride

N-(2,2-Dichlor-1-methylen-propyl)-benzimidchlorid

N-<2-Chlor-1-methylen-propyl>-benzimidchlorid

Refernces

• 1、 Nelson, Donna J.. "An Important Limitation in the Reactions of 1-Chloro-1-alkenes with n- or sec-Butyllithium". . p. 2059 - 2061. Retrieved 1984.
• 2、 Heisig,Davis. "-". . p. 339. Retrieved 1935.
• 3、 Lavalley, Jean-Claude,Lamotte, Jean,Travert, Arnaud,Czyzniewska, Jolanta,Ziolek, Maria. "Use of but-1-yne as a probe for the characterization of the basicity of alkali-exchanged zeolites". . p. 331 - 335. Retrieved 1998.
• 4、 Cencer, Morgan M.,Greenlee, Andrew J.,Moore, Jeffrey S.. "Quantifying Error Correction through a Rule-Based Model of Strand Escape from an [ n]-Rung Ladder". supporting information. p. 162 - 168. Retrieved 2020/01/03.
• 5、 Estes, Deven P.,Gordon, Christopher P.,Fedorov, Alexey,Liao, Wei-Chih,Ehrhorn, Henrike,Bittner, Celine,Zier, Manuel Luca,Bockfeld, Dirk,Chan, Ka Wing,Eisenstein, Odile,Raynaud, Christophe,Tamm, Matthias,Copéret, Christophe. "Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis". supporting information. p. 17597 - 17607. Retrieved 2017/12/15.