But-3-yn-2-amine hydrochloride

Base Information

• Chemical Name: But-3-yn-2-amine hydrochloride
• CAS No.: 42105-26-0
• Molecular Formula: C4H8ClN
• Molecular Weight: 105.567
• Hs Code.: 2921199090
• European Community (EC) Number: 809-464-6
• DSSTox Substance ID: DTXSID70505072
• Mol file: 42105-26-0.mol

Synonyms:but-3-yn-2-amine hydrochloride;42105-26-0;1-METHYL-PROP-2-YNYLAMINE HYDROCHLORIDE;but-3-yn-2-amine;hydrochloride;3-butyn-2-amine hydrochloride;2-Amino-3-butyne Hydrochloride;C4H8ClN;MFCD08752577;3-BUTYN-2-AMINE HCL;(1-methylprop-2-yn-1-yl)amine hydrochloride;but-3-yn-2-aminehydrochloride;SCHEMBL8636046;DTXSID70505072;YSJBFJIMQKWSDK-UHFFFAOYSA-N;AB1311;1-Methylprop-2-ynylaminehydrochloride;AKOS024258759;SB33467;SB37129;SB39205;BS-16807;SY022798;CS-0072301;FT-0719112;But-3-yn-2-amine--hydrogen chloride (1/1);EN300-152999;A825764;1-Methyl-prop-2-ynylamine hydrochloride, AldrichCPR;F2196-0062

Chemical Property of But-3-yn-2-amine hydrochloride

Chemical Property:

• Boiling Point: 132.4 °C at 760 mmHg
• Flash Point: 33.9 °C
• PSA: 26.02000
• LogP: 1.46910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 105.0345270
• Heavy Atom Count: 6
• Complexity: 57.3

Purity/Quality:

99% ^*data from raw suppliers

but-3-yn-2-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C#C)N.Cl

Technology Process of But-3-yn-2-amine hydrochloride

There total 3 articles about But-3-yn-2-amine hydrochloride 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: 75.0%

→ (1-methylprop-2-yn-1-yl)amine hydrochloride (42105-26-0,1414960-66-9)

Guidance literature:

Reference yield:

2-(1-methylprop-2-ynyl)-1H-isoindole-1,3(2H)-dione (14396-89-5) → (1-methylprop-2-yn-1-yl)amine hydrochloride (42105-26-0,1414960-66-9)

Guidance literature:

2-(1-methylprop-2-ynyl)-1H-isoindole-1,3(2H)-dione; With hydrazine hydrate; In ethanol; at 80 ℃; for 3.5h;

With hydrogenchloride; In ethanol;

DOI:10.1002/cjoc.201200824

Reference yield:

1-methylprop-2-ynyl methanesulfonate (59967-06-5) → (1-methylprop-2-yn-1-yl)amine hydrochloride (42105-26-0,1414960-66-9)

Guidance literature:

1-methylprop-2-ynyl methanesulfonate; With ammonium hydroxide; at 20 ℃; for 18h;

With hydrogenchloride; at 0 ℃;

DOI:10.1021/ol401303f

upstream raw materials:

1-methylprop-2-ynyl methanesulfonate

2-(1-methylprop-2-ynyl)-1H-isoindole-1,3(2H)-dione

Downstream raw materials:

C₂₂H₂₉N₃O₅

4-methyl-N-(1-methylprop-2-ynyl)-benzenesulfonamide

but-3-yn-2-amine

N-<(S)-1-methyl-2-propynyl>-(R)-O-methylmandelic amide

Refernces

• 1、 Uredi, Dilipkumar,Motati, Damoder Reddy,Blake Watkins. "A Unified Strategy for the Synthesis of β-Carbolines, γ-Carbolines, and Other Fused Azaheteroaromatics under Mild, Metal-Free Conditions". supporting information. p. 6336 - 6339. Retrieved 2018/10/15.
• 2、 Zhu, Youquan,Liu, Pei,Wang, Danyang,Zhang, Jin,Cheng, Jie,Ma, Yuan,Zou, Xiaomao,Yang, Huazheng. "Synthesis and bioactivities of novel N-(4-(2-Aryloxythiazol-5-yl)but-3-yn- 2-yl)benzamides". . p. 173 - 181. Retrieved 2013/08/24.