2-(3-METHYLPHENYL)PYRROLIDINE

Base Information

• Chemical Name: 2-(3-METHYLPHENYL)PYRROLIDINE
• CAS No.: 72216-05-8
• Molecular Formula: C₁₁H₁₅N
• Molecular Weight: 161.247
• Hs Code.: 2933990090
• European Community (EC) Number: 868-700-6
• DSSTox Substance ID: DTXSID70393491
• Nikkaji Number: J3.626.872G
• Mol file: 72216-05-8.mol

Synonyms:2-(3-Methylphenyl)pyrrolidine;

Chemical Property of 2-(3-METHYLPHENYL)PYRROLIDINE

Chemical Property:

• Vapor Pressure: 0.0152mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 256.7 °C at 760 mmHg
• PKA: 10.21±0.10(Predicted)
• Flash Point: 110.5 °C
• PSA: 12.03000
• Density: 0.975 g/cm³
• LogP: 2.74830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2-(3-methylphenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2CCCN2

Technology Process of 2-(3-METHYLPHENYL)PYRROLIDINE

There total 16 articles about 2-(3-METHYLPHENYL)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: 98.0%

2-(3-Me-phenyl)-1-pyrroline (115107-83-0) → (+)-2-(m-tolyl)pyrrolidine (72216-05-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R,R)-f-spiroPhos; hydrogen; In 1,4-dioxane; at 50 ℃; for 24h; under 38002.6 Torr; enantioselective reaction; Autoclave;

DOI:10.1039/c7ob00442g

Reference yield: 97.0%

C11H13N*H(1+) → (+)-2-(m-tolyl)pyrrolidine (72216-05-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R,R)-f-spiroPhos; hydrogen; In tetrahydrofuran; at 30 ℃; for 10h; under 7600.51 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.7b01828

Reference yield: 91.0%

2-(3-Me-phenyl)-1-pyrroline (115107-83-0) → (R)-2-(m-tolyl)pyrrolidine (72216-05-8)

Guidance literature:

With diethoxymethylane; diethylzinc; ((2S,2'S)-((2-hydroxy-5-methyl-1,3-phenylene)bis(methylene))bis(pyrrolidine-1,2-diyl))bis(diphenylmethanol); In tetrahydrofuran; toluene; at 4 ℃; for 48h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.202001043

upstream raw materials:

ethyl 3-methylbenzoate

m-Toluic acid

2-(3-Me-phenyl)-1-pyrroline

pyrrolidine

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