(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol

Base Information

Chemical Name:(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol
CAS No.:76236-36-7
Molecular Formula:C23H30O8
Molecular Weight:434.4795
Hs Code.:
NSC Number:332049
DSSTox Substance ID:DTXSID50422657
Wikidata:Q82234627

Synonyms:76236-36-7;NSC332049;DTXSID50422657;NSC-332049;(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol;PODOPHYLLOTOXIN, SECODEOXY-SECOLACTONE DIOL

Suppliers and Price of (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol

Chemical Property:

Vapor Pressure:1.01E-18mmHg at 25°C
Boiling Point:667.4°Cat760mmHg
Flash Point:357.4°C
Density:1.269g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:434.19406791
Heavy Atom Count:31
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CC(C(CC2=CC3=C(C=C2)OCO3)CO)C(CO)O
Isomeric SMILES:COC1=CC(=CC(=C1OC)OC)C[C@@H]([C@H](CC2=CC3=C(C=C2)OCO3)CO)[C@@H](CO)O

Technology Process of (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol

There total 17 articles about (2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2,5-triol 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: 97.0%

: 72627-52-2
(2S,3S,4S)-(+)-2-piperonyl-3-(3,4,5-trimethoxybenzyl)-4-hydroxymethyl-butan-4-olide

: 76236-36-7
(2S,3S,4S)-(+)-3-(3',4',5'-trimethoxybenzyl)-4-piperonyl-1,2,5-pentanetriol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Ambient temperature;
DOI:10.1016/S0040-4020(01)82416-9

Reference yield:

: 73968-62-4
(5S)-5-[(trityloxy)methyl]tetrahydro-2-furanone

: 76236-36-7
(2S,3S,4S)-(+)-3-(3',4',5'-trimethoxybenzyl)-4-piperonyl-1,2,5-pentanetriol

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) LDA / 1.) THF, -78 degC, 35 min; 2.) THF, -78 degC, 1.5 h

2: 87 percent / 18-crown-6 / H₂O; ethyl acetate / 14 h / 50 °C

3: 1.) n-BuLi

4: 28 percent / Raney-Ni / ethanol / 12 h / Heating

5: 97 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With lithium aluminium tetrahydride; n-butyllithium; nickel; lithium diisopropyl amide; 18-crown-6 ether; In tetrahydrofuran; ethanol; water; ethyl acetate;
DOI:10.1016/S0040-4020(01)82416-9

Reference yield:

: 76236-31-2,92232-55-8,92232-56-9
(4S)-(+)-2-phenylseleno-4-trityloxymethyl-butan-4-olide

: 76236-36-7
(2S,3S,4S)-(+)-3-(3',4',5'-trimethoxybenzyl)-4-piperonyl-1,2,5-pentanetriol

Guidance literature:: Multi-step reaction with 4 steps

1: 87 percent / 18-crown-6 / H₂O; ethyl acetate / 14 h / 50 °C

2: 1.) n-BuLi

3: 28 percent / Raney-Ni / ethanol / 12 h / Heating

4: 97 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

With lithium aluminium tetrahydride; n-butyllithium; nickel; 18-crown-6 ether; In tetrahydrofuran; ethanol; water; ethyl acetate;
DOI:10.1016/S0040-4020(01)82416-9