4-Pentyne-1,3-diol, 2-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-3-(1-methylethyl)-, (2R,3S)-

Base Information

Chemical Name:4-Pentyne-1,3-diol, 2-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-3-(1-methylethyl)-, (2R,3S)-
CAS No.:647008-05-7
Molecular Formula:C23H26O5
Molecular Weight:382.45000
Hs Code.:

Synonyms:(2R,3S)-3-isopropyl-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-4-pentyne-1,3-diol;(2R,3S)-2-Benzo[1,3]dioxol-5-ylmethyl-3-isopropyl-5-(4-methoxy-phenyl)-pent-4-yne-1,3-diol;

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Pentyne-1,3-diol, 2-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-3-(1-methylethyl)-, (2R,3S)-

Chemical Property:

Boiling Point:589.6±50.0 °C(Predicted)
PSA：68.15000
Density:1.24±0.1 g/cm3(Predicted)
LogP:3.01370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of 4-Pentyne-1,3-diol, 2-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-3-(1-methylethyl)-, (2R,3S)-

There total 16 articles about 4-Pentyne-1,3-diol, 2-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-3-(1-methylethyl)-, (2R,3S)- 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: 68.0%

: 647007-85-0
(2R)-1-hydroxy-4-methyl-2-(3,4-methylenedioxyphenyl)methyl-3-pentanone

: 768-60-5
4-methoxyphenylacetylen

: 647008-05-7
(2R,3S)-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-3-(1-methylethyl)-4-pentyne-1,3-diol

: 647008-04-6
(2R,3R)-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-3-(1-methylethyl)-4-pentyne-1,3-diol

Guidance literature:: 4-methoxyphenylacetylen; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.5h;

With copper(l) iodide; In diethyl ether; hexane; at -78 ℃; for 0.5h;

(2R)-1-hydroxy-4-methyl-2-(3,4-methylenedioxyphenyl)methyl-3-pentanone; With titanium tetrachloride; In diethyl ether; hexane; at -78 - 20 ℃;
DOI:10.1271/bbb.67.2215

Reference yield: 56.2%

: 647029-36-5
(2R)-1-hydroxy-5-(4-methoxyphenyl)-2-(3,4-methylenedioxyphenyl)methyl-4-pentyn-3-one

: 75-26-3
isopropyl bromide

: 647008-05-7
(2R,3S)-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-3-(1-methylethyl)-4-pentyne-1,3-diol

: 647008-04-6
(2R,3R)-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-3-(1-methylethyl)-4-pentyne-1,3-diol

Guidance literature:: isopropyl bromide; With magnesium; In tetrahydrofuran;

(2R)-1-hydroxy-5-(4-methoxyphenyl)-2-(3,4-methylenedioxyphenyl)methyl-4-pentyn-3-one; In tetrahydrofuran; at -78 ℃; for 1h;
DOI:10.1271/bbb.67.2183

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 647008-05-7
(2R,3S)-5-(4-methoxyphenyl)-2-(3,4-methylenedioxybenzyl)-3-(1-methylethyl)-4-pentyne-1,3-diol

Guidance literature:: Multi-step reaction with 10 steps

1.1: 81.9 percent / pyridine; piperidine / 8 h / Heating

2.1: 91.1 percent / hydrogen; acetic acid / Pd-C / 48 h / Heating

3.1: oxalyl chloride / CH₂Cl₂ / 0 - 20 °C

4.1: 25.01 g / n-butyllithium / tetrahydrofuran; hexane / -78 - 0 °C

5.1: dibutylboron triflate; ethyldiisopropylamine / CH₂Cl₂ / cooling

5.2: 21.7 percent / CH₂Cl₂ / cooling

6.1: 100 percent / lithium borohydride / diethyl ether; H₂O / 0 - 20 °C

7.1: 70.9 percent / triethylamine; 4-(dimethylamino)pyridine / dimethylformamide / 4 h / -15 °C

8.1: 90.2 percent / dimethyl sulfoxide; 1,3-dicyclohexylcarbodiimide; pyridinium trifluoroacetate / toluene / 24 h / 20 °C

9.1: 89.1 percent / acetic acid / tetrahydrofuran; H₂O / 15 h / 20 °C

10.1: magnesium / tetrahydrofuran

10.2: 56.2 percent / tetrahydrofuran / 1 h / -78 °C

With piperidine; pyridine; dmap; lithium borohydride; n-butyllithium; oxalyl dichloride; di-n-butylboryl trifluoromethanesulfonate; hydrogen; pyridinium trifluroacetate; magnesium; acetic acid; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene; 5.2: aldol reaction / 10.2: Grignard reaction;
DOI:10.1271/bbb.67.2183