Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate

Base Information

Chemical Name:Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate
CAS No.:945634-17-3
Molecular Formula:C₂₁H₂₅NO₆
Molecular Weight:387.433
Hs Code.:
DSSTox Substance ID:DTXSID101145153

Synonyms:DTXSID101145153;Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate;945634-17-3

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

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Chemical Property of Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:387.16818752
Heavy Atom Count:28
Complexity:483

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2CC(N(C2)C(=O)OCC3=CC=CC=C3)O

Technology Process of Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate

There total 4 articles about Phenylmethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxylate 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: 91.0%

: 31970-04-4
1-carboxybenzyl-3-pyrrolidine

: 3,4,5-trimethoxybenzenediazonium tetrafluoroborate

: 945634-17-3
C₂₁H₂₅NO₆

Guidance literature:: palladium diacetate; In water; acetonitrile; at 20 ℃; for 3h;
DOI:10.1080/00397910701356504

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 945634-17-3
C₂₁H₂₅NO₆

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / CH₂Cl₂ / cooling

2: 1.031 g / first generation Grubbs catalyst / CH₂Cl₂ / 5 h / 20 °C

3: 91 percent / palladium(II) acetate / acetonitrile; H₂O / 3 h / 20 °C

With triethylamine; Grubbs catalyst first generation; palladium diacetate; In dichloromethane; water; acetonitrile; 3: Heck arylation;
DOI:10.1080/00397910701356504

Reference yield:

: 24313-88-0
3,4,5-Trimethoxyaniline

: 945634-17-3
C₂₁H₂₅NO₆

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaNO₂; conc. HCl / H₂O / -5 °C

1.2: 93 percent / sodium tetrafluoroborate / H₂O

2.1: 91 percent / palladium(II) acetate / acetonitrile; H₂O / 3 h / 20 °C

With hydrogenchloride; sodium nitrite; palladium diacetate; In water; acetonitrile; 2.1: Heck arylation;
DOI:10.1080/00397910701356504