Benzenemethanamine, 3-ethynyl- (9CI)

Base Information

• Chemical Name: Benzenemethanamine, 3-ethynyl- (9CI)
• CAS No.: 615288-78-3
• Molecular Formula: C9H9N
• Molecular Weight: 131.177
• Mol file: 615288-78-3.mol

Synonyms:Benzenemethanamine, 3-ethynyl- (9CI);BenzeneMethanaMine, 3-ethynyl-;1-(3-ethynylphenyl)MethanaMine;(3-Ethynylphenyl)methanamine

Chemical Property of Benzenemethanamine, 3-ethynyl- (9CI)

Chemical Property:

• Boiling Point: 237.3±23.0 °C(Predicted)
• PKA: 8.84±0.10(Predicted)
• PSA: 26.02000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 1.82690
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

(3-Ethynylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (3-Ethynylphenyl)methanamine is a useful research chemical.

Technology Process of Benzenemethanamine, 3-ethynyl- (9CI)

There total 2 articles about Benzenemethanamine, 3-ethynyl- (9CI) 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:

3-trimethylsilanylethynyl-benzylamine (615288-77-2) → (3-ethynylphenyl)methanamine (615288-78-3)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 12h;

DOI:10.1021/ja036055t

Reference yield:

3-iodobenzylamine (696-40-2) → (3-ethynylphenyl)methanamine (615288-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; CuI; (PPh₃)2PdCl₂ / dimethylformamide / 0.5 h / 50 °C

2: 262 mg / NH₃ / methanol / 12 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; ammonia; triethylamine; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/ja036055t

Reference yield: 90.0%

anthraquinone-2-carboxylic acid (117-78-2) + (3-ethynylphenyl)methanamine (615288-78-3) → N-(3-ethynylbenzyl)-9,10-antraquinon-2-carboxamide (615288-79-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/ja036055t

upstream raw materials:

3-trimethylsilanylethynyl-benzylamine

3-iodobenzylamine

Downstream raw materials:

N-(3-ethynylbenzyl)-9,10-antraquinon-2-carboxamide

N-(3-ethynylbenzyl)biotin amide

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