(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid

Base Information

• Chemical Name: (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid
• CAS No.: 865233-35-8
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Mol file: 865233-35-8.mol

Synonyms:(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid;(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid

Chemical Property of (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid

Chemical Property:

• Melting Point: 127 °C
• Boiling Point: 398.2±37.0 °C(Predicted)
• PKA: 4.23±0.10(Predicted)
• PSA: 57.53000
• Density: 1.234±0.06 g/cm3(Predicted)
• LogP: 1.97380
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

(3S)-3-(4-Hydroxyphenyl)-4-hexynoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid

There total 12 articles about (3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid 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: 100.0%

(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol salt (1092773-21-1) → (3S)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid (865233-35-8)

Guidance literature:

With hydrogenchloride; In tert-butyl methyl ether; water; at 20 ℃; for 0.5h;

Reference yield: 50.58%

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7) → (3S)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid (865233-35-8) + (R)-3-(4-hydroxyphenyl)-hex-4-ynoic acid (1147732-37-3)

Guidance literature:

With trifluoroacetic acid; In hexane; isopropyl alcohol; Resolution of racemate;

Reference yield: 37.0%

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid (865233-34-7) → (3S)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid (865233-35-8)

Guidance literature:

With (1S,2R)-1-amino-2-indanol; In isopropyl alcohol; at 20 - 70 ℃; for 16h; optical yield given as %ee; Resolution of racemate;

DOI:10.1016/j.bmcl.2011.10.118

upstream raw materials:

4-hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol salt

acetic acid 4-(2,2-dimethyl-4,6-dioxo[1,3]dioxan-5-ylidenemethyl)-phenyl ester

(+/-)-5-[1-(4-hydroxy-phenyl)-but-2-ynyl]-2,2-dimethyl-[1,3]dioxane-4,6-dione

Downstream raw materials:

(3S)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid methyl ester

(3S)-3-(4-{[4-(1′H-spiro[indene-1,4′-piperidine]-1′-ylmethyl)benzyl]oxy}phenyl)hex-4-ynoic acid

Ethyl (3S)-3-[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]hex-4-ynoate

ethyl (S)-3-(4-((4-(spiro[indene-1,4'-piperidin]-1'-ylmethyl)benzyl)oxy)phenyl)hex-4-ynoate

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