Codonopsinine

Base Information

• Chemical Name: Codonopsinine
• CAS No.: 32490-07-6
• Molecular Formula: C₁₃H₁₉NO₃
• Molecular Weight: 237.299
• DSSTox Substance ID: DTXSID90447309
• Nikkaji Number: J245.952C
• Wikidata: Q82266167
• ChEMBL ID: CHEMBL4528898
• Mol file: 32490-07-6.mol

Synonyms:codonopsinine

Chemical Property of Codonopsinine

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(N1C)C2=CC=C(C=C2)OC)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@H](N1C)C2=CC=C(C=C2)OC)O)O

Technology Process of Codonopsinine

There total 74 articles about Codonopsinine 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: 98.0%

(2R,3S,4S,5S)-bis<(methoxymethyl)oxy>-2-(p-methoxyphenyl)-1,5-dimethylpyrrolidine (99878-83-8) → (2R,3S,4S,5S)-3,4-dihydroxy-2-(p-methoxyphenyl)-1,5-dimethylpyrrolidine (32490-07-6,100100-39-8,108210-83-9,108210-84-0,108210-85-1)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃; for 2.5h;

DOI:10.1021/jo00386a012

Reference yield: 97.0%

(2R,3R,4R,5R)-4-Methoxymethoxy-5-(4-methoxy-phenyl)-1,2-dimethyl-pyrrolidin-3-ol (521916-64-3) → (R,R,R,R)-N(1)-methyl-2-(4'-methoxyphenyl)-3-hydroxy-4-hydroxy-5-methylpyrroli (100100-39-8,108210-83-9,108210-84-0,108210-85-1,32490-07-6)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃;

Reference yield: 90.0%

(2R,3R,4R,5R)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diyl diacetate → (R,R,R,R)-N(1)-methyl-2-(4'-methoxyphenyl)-3-hydroxy-4-hydroxy-5-methylpyrroli (100100-39-8,108210-83-9,108210-84-0,108210-85-1,32490-07-6)

Guidance literature:

With methanol; sodium methylate; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2019.02.021

upstream raw materials:

(2R,3S,4S,5S)-bis<(methoxymethyl)oxy>-2-(p-methoxyphenyl)-1,5-dimethylpyrrolidine

(2S,3S,4R)-2,3-bis<(methoxymethyl)oxy>-4-(p-methoxyphenyl)-4-(1,3-dioxo-2-azindan-2-yl)-1-butanol

(2R,3S,4S,5R)-3,4-bis<(methoxymethyl)oxy>-5-(p-methoxyphenyl)-5-(1,3-dioxo-2-azidan-2-yl)-2-pentanol

(2R,3S,4R)-2,3-bis<(methoxymethyl)oxy>-4-(p-methoxyphenyl)-4-(1,3-dioxo-2-azindan-2-yl)-1-butanal

Downstream raw materials:

(2R,3R,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diyl diacetate

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