But-3-yn-1-amine hydrochloride

Base Information

• Chemical Name: But-3-yn-1-amine hydrochloride
• CAS No.: 88211-50-1
• Molecular Formula: C4H7 N . Cl H
• Molecular Weight: 105.567
• Hs Code.: 2921199090
• European Community (EC) Number: 817-418-1
• DSSTox Substance ID: DTXSID90481102
• Mol file: 88211-50-1.mol

Synonyms:but-3-yn-1-amine hydrochloride;88211-50-1;3-butyn-1-amine hydrochloride;BUT-3-YNYLAMINE HYDROCHLORIDE;3-Butyn-1-amine HCl;but-3-yn-1-amine;hydrochloride;3-Butyn-1-amine, HCl;MFCD06658391;3-Butyn-1-amine, hydrochloride;BUT-3-YN-1-AMINE HCL;but-3-ynylamine HCl salt;SCHEMBL13423;but-3-yn-1-aminehydrochloride;LCZC2709;but-3-ynylamine hydrogen chloride;DTXSID90481102;PQEPCBUBKRUREA-UHFFFAOYSA-N;BCP19829;AKOS015969172;SB39338;DS-16425;SY007229;But-3-ynylamine hydrochloride, AldrichCPR;B5925;CS-0059198;FT-0748067;EN300-76524;A842501;F2147-0992;Z1267881669;2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazoliumchloride

Chemical Property of But-3-yn-1-amine hydrochloride

Chemical Property:

• Melting Point: 222 °C
• PSA: 26.02000
• LogP: 1.47070
• 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: 1
• Exact Mass: 105.0345270
• Heavy Atom Count: 6
• Complexity: 47.9

Purity/Quality:

97% ^*data from raw suppliers

But-3-yn-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCN.Cl

Technology Process of But-3-yn-1-amine hydrochloride

There total 2 articles about But-3-yn-1-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: 56.0%

N-(3-butynyl)phthalimide (14396-90-8) → N-aminophthalamide (1875-48-5) + 4-amino-1-butyne hydrochloride (88211-50-1)

Guidance literature:

N-(3-butynyl)phthalimide; With hydrazine hydrate; In ethanol; at 20 ℃; for 72h;

With hydrogenchloride; water; In ethanol; for 15h;

DOI:10.1002/chem.201001951

Reference yield:

1-butin-3 (88211-47-6) → Hexamethyldisiloxane (107-46-0) + 4-amino-1-butyne hydrochloride (88211-50-1)

Guidance literature:

With hydrogenchloride; water; In diethyl ether; Yield given;

Reference yield: 100.0%

1-phenylcyclopropanecarbonyl chloride (63201-02-5) + 4-amino-1-butyne hydrochloride (88211-50-1) → 1-phenylcyclopropanecarboxylic acid prop-2-ynylamide

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 16h;

upstream raw materials:

1-butin-3

N-(3-butynyl)phthalimide

Downstream raw materials:

6-But-3-ynylaminomethyl-5-chloro-3-methoxy-1-phenyl-1H-pyrazin-2-one

1-Benzyl-6-but-3-ynylaminomethyl-5-chloro-3-methoxy-1H-pyrazin-2-one

1-Benzyl-6-but-3-ynylaminomethyl-5-chloro-3-phenyl-1H-pyrazin-2-one

N-(4-methoxybenzyl)-4-amino-1-butyne