3-(3,4-Dimethoxy-phenyl)-pyrrolidine

Base Information

• Chemical Name: 3-(3,4-Dimethoxy-phenyl)-pyrrolidine
• CAS No.: 38175-31-4
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• ChEMBL ID: CHEMBL1178652
• DSSTox Substance ID: DTXSID70483220

Synonyms:38175-31-4;3-(3,4-DIMETHOXYPHENYL)PYRROLIDINE;3-(3,4-dimethoxy-phenyl)-pyrrolidine;Pyrrolidine, 3-(3,4-dimethoxyphenyl)-;CHEMBL36187;SCHEMBL3648073;CHEMBL1178652;DTXSID70483220;HQHZEQCBQADPSO-UHFFFAOYSA-N;BDBM50017098;AKOS011343753;C78176;EN300-1692874;3-(3,4-Dimethoxy-phenyl)-pyrrolidine;compound with oxalic acid

Chemical Property of 3-(3,4-Dimethoxy-phenyl)-pyrrolidine

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2CCNC2)OC

Technology Process of 3-(3,4-Dimethoxy-phenyl)-pyrrolidine

There total 5 articles about 3-(3,4-Dimethoxy-phenyl)-pyrrolidine 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: 24.0%

2-(3,4-dimethoxyphenyl)succinonitrile (6286-49-3) → (+/-)-3-(3,4-dimethoxyphenyl)pyrrolidine (38175-31-4) + 1,4-diamino-2-(3,4-dimethoxyphenyl)butane

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; for 22h;

DOI:10.1021/ja00084a026

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → (+/-)-3-(3,4-dimethoxyphenyl)pyrrolidine (38175-31-4)

Guidance literature:

Multi-step reaction with 3 steps

1: piperidine / toluene / 110 °C

2: H₂O / ethanol; CHCl₃ / Heating

3: 44 percent / H₂, aq. HCl / 10percent Pd/C / methanol / 22 h

With piperidine; hydrogenchloride; water; hydrogen; palladium on activated charcoal; In methanol; ethanol; chloroform; toluene;

DOI:10.1021/ja00084a026

Reference yield:

ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenoate (24393-47-3) → (+/-)-3-(3,4-dimethoxyphenyl)pyrrolidine (38175-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O / ethanol; CHCl₃ / Heating

2: 44 percent / H₂, aq. HCl / 10percent Pd/C / methanol / 22 h

With hydrogenchloride; water; hydrogen; palladium on activated charcoal; In methanol; ethanol; chloroform;

DOI:10.1021/ja00084a026

upstream raw materials:

2-(3,4-dimethoxyphenyl)succinonitrile

ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenoate

3,4-dimethoxy-benzaldehyde

4,5-dimethoxy-8-thia-9-azatricyclo[7.2.1.0^2,7]dodeca-2⁽⁷⁾,3,5-triene-8,8-dioxide

Downstream raw materials:

C₁₂H₁₆N₂O₃

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