3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-

Base Information

Chemical Name:3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-
CAS No.:195529-54-5
Deprecated CAS:318295-69-1
Molecular Formula:C₃₃H₃₈N₂O₆
Molecular Weight:558.675
Hs Code.:
UNII:5XE882529E
DSSTox Substance ID:DTXSID701102953
Nikkaji Number:J1.184.632G
Wikidata:Q27074055
Pharos Ligand ID:416RD2VSKYHZ
ChEMBL ID:CHEMBL332794

Synonyms:(2R-(2alpha,3beta,4alpha)-4-(1,3-benzodioxol-5-yl)-1-(2-(2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid;A 192621;A-192621;A192621

Suppliers and Price of 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 4 raw suppliers

Chemical Property of 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:558.27298694
Heavy Atom Count:41
Complexity:851

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCOC1=CC=C(C=C1)C2C(C(CN2CC(=O)NC3=C(C=CC=C3CC)CC)C4=CC5=C(C=C4)OCO5)C(=O)O
Isomeric SMILES:CCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(=O)NC3=C(C=CC=C3CC)CC)C4=CC5=C(C=C4)OCO5)C(=O)O

Technology Process of 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-

There total 11 articles about 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)- 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:

: 4-benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl-phenylcarbamoyl)-methyl]-2-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester

: 195529-54-5
trans,trans-2-(4-propoxyphenyl)-4-(1,3-benzodioxol-5-yl)-1-(N-[2,6-diethylphenyl]acetamido)-pyrrolidino-3-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃;
DOI:10.1021/jm990170q

Reference yield:

: 1026011-53-9
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl-phenylcarbamoyl)-methyl]-2-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester

: 195529-54-5
A-192621

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃;
DOI:10.1021/jm990170q

Reference yield:

: 579-66-8
2,6-diethylaniline

: 195529-54-5
A-192621

Guidance literature:: Multi-step reaction with 3 steps

1: diisopropylethylamine / CH₂Cl₂ / 1.5 h / 20 °C

2: iPr₂NEt / acetonitrile

3: aq. NaOH / ethanol / 20 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane; acetonitrile; 1: bromoacetylation / 2: Alkylation / 3: Hydrolysis;
DOI:10.1021/jm990170q