But-3-yn-1-amine

Base Information

• Chemical Name: But-3-yn-1-amine
• CAS No.: 14044-63-4
• Molecular Formula: C4H7N
• Molecular Weight: 69.1063
• Hs Code.: 2921199990
• European Community (EC) Number: 686-932-4
• DSSTox Substance ID: DTXSID80903782
• Nikkaji Number: J1.483.930E
• Mol file: 14044-63-4.mol

Synonyms:But-3-yn-1-amine;14044-63-4;3-Butyn-1-amine;BUT-3-YNYLAMINE;1-AMINO-3-BUTYNE;3-BUTYNYLAMINE;4-aminobutyne;but3-ynyl-amine;3-Butyne-1-amine;1-amino-but-3-yne;NoName_4529;4-AMINO-1-BUTYNE;1-Amino-3-butyne, 95%;DTXSID80903782;XSBPYGDBXQXSCU-UHFFFAOYSA-N;MFCD09997741;AKOS005266497;AB55798;SDCCGSBI-0050043.P002;BB 0260875;FT-0645289;EN300-76549

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

Chemical Property:

• Vapor Pressure: 30.346mmHg at 25°C
• Refractive Index: 1.4438 (20℃)
• Boiling Point: 104.815 °C at 760 mmHg
• PKA: 8.86±0.10(Predicted)
• Flash Point: 18.353 °C
• PSA: 38.33000
• Density: 0.843 g/cm³
• LogP: 1.53520
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 69.057849228
• Heavy Atom Count: 5
• Complexity: 47.9

Purity/Quality:

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

3-Butyn-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCN
• Uses: 1-Amino-3-butyne, a bifunctional linker can be used:In Buchwald–Hartwig amination reaction of 1,2,3,4-tetrahydroacridine trifluoromethanesulfonate derivative.As a reagent to synthesize dialkynylamides from diacids.For the post-polymerization modification of poly(2-alkyl/aryl-2-oxazoline)s (PAOx) polymer by amidation of its methyl ester side chains.As a crosslinker which can bind with resin as well as nanocrystalline cellulose to facilitate the terminal alkyne group for further functionalizations.

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

There total 11 articles about But-3-yn-1-amine 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: 92.0%

4-azido-1-butyne (10451-00-0) → but-3-yn-1-amine (14044-63-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; chemoselective reaction;

DOI:10.1021/acscatal.6b01217

Reference yield: 52.0%

→ but-3-yn-1-amine (14044-63-4)

Guidance literature:

Reference yield:

methanesulfonic acid but-3-ynyl ester (72486-09-0) → but-3-yn-1-amine (14044-63-4)

Guidance literature:

With ammonium hydroxide; In ethanol; at 50 ℃; for 3h;

DOI:10.1021/ja049568o

upstream raw materials:

N-(Ethoxycarbonyl)but-3-ynylamine

sodium acetylide

2-bromoethylamine hydrobromide

acetylene

Downstream raw materials:

5-(3-butynylamino)-6-phenyl-3-p-tolyl-1,2,4-triazine

3-(3-butynyl-1-amino)-5,6-diphenyl-1,2,4-triazine

3-(3-butynyl-1-amino)-5-phenyl-1,2,4-triazine

3-(3-butynyl-1-amino)-5-(4-fluorophenyl)-1,2,4-triazine

Refernces

• 1、 Huang, Boxuan,Li, Weijia,Mu, Yu,Shao, Liang,Su, Yangqing,Sun, Mengsi,Xu, Huan,Yang, Fan,Yu, Fei,Zhang, Jihong,Zhang, Yuan. "Design and Synthesis of Oleanolic Acid Trimers to Enhance Inhibition of Influenza Virus Entry". . p. 1759 - 1765. Retrieved 2021/11/18.
• 2、 -. "ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS". Paragraph 0244; 0248; 0252; 0256. . Retrieved 2018/10/25.