(3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate

Base Information

• Chemical Name: (3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate
• CAS No.: 1065331-03-4
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.18
• European Community (EC) Number: 845-908-5
• DSSTox Substance ID: DTXSID90363772
• Wikidata: Q72493054
• Mol file: 1065331-03-4.mol

Synonyms:1065331-03-4;(3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate;methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate;trans-Methyl 4-methylpyrrolidine-3-carboxylate;1260603-20-0;Methyl trans-4-methylpyrrolidine-3-carboxylate;SCHEMBL23628800;DTXSID90363772;MFCD11845468;AKOS006380828;DS-13812;CS-0196485;EN300-3086690;(3R,4R)-Methyl4-methylpyrrolidine-3-carboxylate

Chemical Property of (3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate

Chemical Property:

• Boiling Point: 182℃
• PKA: 9.46±0.10(Predicted)
• Flash Point: 64℃
• PSA: 38.33000
• Density: 1.005
• LogP: 0.34370
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99%, ^*data from raw suppliers

trans-Methyl4-Methylpyrrolidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNCC1C(=O)OC
• Isomeric SMILES: C[C@H]1CNC[C@@H]1C(=O)OC

Technology Process of (3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate

There total 4 articles about (3R,4R)-Methyl 4-methylpyrrolidine-3-carboxylate 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: 63.3%

(±)-(3,4-trans)-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate → methyl (3,4-trans)-4-methylpyrrolidine-3-carboxylate (1065331-03-4,885952-88-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 - 50 ℃; for 24h; under 9880.66 - 19001.3 Torr; Autoclave;

Reference yield: 57.0%

methyl 1-benzyl-4-methyl-2,5-dihydro-1H-pyrrole-3-carboxylate → methyl (3R*,4S*)-4-methylpyrrolidine-3-carboxylate (1065331-03-4,885952-88-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 40h;

DOI:10.1002/chem.202001123

Reference yield:

methyl 3-[N-benzyl-N-(2-bromo-2-propenyl)amino]propionate → methyl (3R*,4S*)-4-methylpyrrolidine-3-carboxylate (1065331-03-4,885952-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; phenol / tetrahydrofuran; tert-butyl alcohol / 3 h / Inert atmosphere; Reflux

2: palladium 10% on activated carbon; hydrogen / methanol / 40 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; palladium 10% on activated carbon; potassium tert-butylate; hydrogen; phenol; In tetrahydrofuran; methanol; tert-butyl alcohol;

DOI:10.1002/chem.202001123

upstream raw materials:

methyl crotonate

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