1-(3,4-Dimethylphenyl)pyrrolidine

Base Information

• Chemical Name: 1-(3,4-Dimethylphenyl)pyrrolidine
• CAS No.: 255835-94-0
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.274
• DSSTox Substance ID: DTXSID301299774
• Nikkaji Number: J1.284.659B
• Mol file: 255835-94-0.mol

Synonyms:1-(3,4-dimethylphenyl)pyrrolidine;255835-94-0;SCHEMBL3539353;DTXSID301299774;4-Pyrrolizino-1,2-dimethylbenzene;1-(3,4-Dimethylphenyl)-Pyrrolidine;FT-0759610;A18535

Chemical Property of 1-(3,4-Dimethylphenyl)pyrrolidine

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N2CCCC2)C

Technology Process of 1-(3,4-Dimethylphenyl)pyrrolidine

There total 4 articles about 1-(3,4-Dimethylphenyl)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: 100.0%

1,4-dibromo-butane (110-52-1) + 4-amino-o-xylene (95-64-7) → N-(3,4-dimethylphenyl)pyrrolidine (255835-94-0)

Guidance literature:

With sodium dodecyl-sulfate; sodium hydrogencarbonate; In water; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c0ob00261e

Reference yield: 90.0%

pyrrolidine (123-75-1) + 4-bromo-o-xylene (583-71-1) → N-(3,4-dimethylphenyl)pyrrolidine (255835-94-0)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; potassium tert-butylate; In toluene; for 2h; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02527

Reference yield: 89.0%

pyrrolidine (123-75-1) + 3,4-dimethylphenyl trifluoromethanesulfonate (255837-23-1) → N-(3,4-dimethylphenyl)pyrrolidine (255835-94-0)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; johnphos; In 1,2-dimethoxyethane; at 80 ℃; for 25h;

DOI:10.1021/jo991699y

upstream raw materials:

pyrrolidine

3,4-dimethylphenyl trifluoromethanesulfonate

1,4-dibromo-butane

4-amino-o-xylene

Refernces

• 1、 Arman, Hadi D.,Dang, Hang T.,Haug, Graham C.,Larionov, Oleg V.,Nguyen, Viet D.,Nguyen, Vu T.,Vuong, Ngan T. H.. "Visible-Light-Enabled Direct Decarboxylative N-Alkylation". supporting information. p. 7921 - 7927. Retrieved 2020/04/10.
• 2、 Shu, Xing-Zhong,Yang, Yan-Fang,Xia, Xiao-Feng,Ji, Ke-Gong,Liu, Xue-Yuan,Liang, Yong-Min. "Platinum-catalyzed cross-dehydrogenative coupling reaction in the absence of oxidant". supporting information; experimental part. p. 4077 - 4079. Retrieved 2010/10/21.