Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (9CI)

Base Information

• Chemical Name: Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (9CI)
• CAS No.: 226699-03-2
• Molecular Formula: C9H8FN
• Molecular Weight: 149.1649232
• Mol file: 226699-03-2.mol

Synonyms:Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (9CI)

Chemical Property of Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (9CI)

Chemical Property:

• PSA: 26.02000
• LogP: 2.15900

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (9CI)

There total 6 articles about Benzenemethanamine, alpha-ethynyl-4-fluoro-, (alphaS)- (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: 38.2%

ethyl acetate (141-78-6) + (+/-)-1-(4-fluorophenyl)-2-propynylamine (226698-96-0) → (R)-1-(4-Fluoro-phenyl)-prop-2-ynylamine (226699-03-2) + (R)-N-acetyl-1-(4-fluorophenyl)prop-2-ynylamine (421554-12-3)

Guidance literature:

With lipase B from Candida antarctica NOVOZYM 435; In diethyl ether; at 20 ℃; for 25h;

DOI:10.1021/jo982513i

Reference yield:

(+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide (226698-91-5) → (R)-1-(4-Fluoro-phenyl)-prop-2-ynylamine (226699-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / 70 °C

2: CAL-B / diethyl ether / 20 °C / Enzymatic reaction; kinetic resolution of racemate

With hydrogenchloride; CAL-B; In diethyl ether;

DOI:10.1016/j.tetasy.2007.06.007

Reference yield:

(R)-N-acetyl-1-(4-fluorophenyl)prop-2-ynylamine (421554-12-3) → (R)-1-(4-fluorophenyl)-2-propynylamine (226699-16-7) + (R)-1-(4-Fluoro-phenyl)-prop-2-ynylamine (226699-03-2)

Guidance literature:

With hydrogenchloride; In water; at 70 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1021/jo982513i

upstream raw materials:

ethyl acetate

(+/-)-1-(4-fluorophenyl)-2-propynylamine

(R)-N-acetyl-1-(4-fluorophenyl)prop-2-ynylamine

1-(4-fluorophenyl)prop-2-yn-1-ol

Downstream raw materials:

N-[1-(4-fluoro-phenyl)-prop-2-ynyl]-acetamide

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