(S)-(+)-2-(ANILINOMETHYL)PYRROLIDINE

Base Information

• Chemical Name: (S)-(+)-2-(ANILINOMETHYL)PYRROLIDINE
• CAS No.: 64030-44-0
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.261
• Hs Code.: 2933990090
• European Community (EC) Number: 623-462-0
• DSSTox Substance ID: DTXSID70426197
• Nikkaji Number: J1.104.490E
• Wikidata: Q82239161
• ChEMBL ID: CHEMBL309428
• Mol file: 64030-44-0.mol

Synonyms:2-Pyrrolidinemethanamine,N-phenyl-, (S)-; (+)-2-(Anilinomethyl)pyrrolidine;(2S)-(Anilinomethyl)pyrrolidine; (2S)-2-Phenylaminomethylpyrrolidine;(S)-(+)-2-(Anilinomethyl)pyrrolidine; (S)-2-(Anilinomethyl)pyrrolidine;(S)-2-(Phenylaminomethyl)pyrrolidine

Chemical Property of (S)-(+)-2-(ANILINOMETHYL)PYRROLIDINE

Chemical Property:

• Vapor Pressure: 0.00058mmHg at 25°C
• Melting Point: 19°C
• Refractive Index: 1.5750
• Boiling Point: 111-112 °C0.55 mm Hg(lit.)
• PKA: 10.52±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 24.06000
• Density: 1.046 g/mL at 25 °C(lit.)
• LogP: 2.25230
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

(S)-(+)-2-(Anilinomethyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)CNC2=CC=CC=C2
• Isomeric SMILES: C1C[C@H](NC1)CNC2=CC=CC=C2

Technology Process of (S)-(+)-2-(ANILINOMETHYL)PYRROLIDINE

There total 23 articles about (S)-(+)-2-(ANILINOMETHYL)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: 92.0%

(S)-5-oxo-N-phenylpyrrolidine-2-carboxamide (68295-47-6) → (2S)-2-(anilinomethyl)pyrrolidine (64030-44-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo990205u

Reference yield: 90.0%

(2S)-N-phenylpyrrolidine-2-carboxamide (25746-83-2,64030-43-9,104261-87-2) → (2S)-2-(anilinomethyl)pyrrolidine (64030-44-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.2174/1570178616666190212125426

Reference yield: 54.0%

methyl magnesium iodide (917-64-6) + 3-(2,5-Dimethoxy-3,4,6-trimethyl-phenyl)-1-((S)-2-phenyl-hexahydro-pyrrolo[1,2-c]imidazol-3-yl)-propan-1-one (85148-23-8) → (S)-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-hydroxy-2-methylbutanal (85148-24-9) + (2S)-2-(anilinomethyl)pyrrolidine (64030-44-0)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction; 1.)-100 deg C 2.) 0 deg C;

DOI:10.1016/S0040-4039(00)85757-3

upstream raw materials:

methyl magnesium iodide

3-(2,5-Dimethoxy-3,4,6-trimethyl-phenyl)-1-((S)-2-phenyl-hexahydro-pyrrolo[1,2-c]imidazol-3-yl)-propan-1-one

ethyl acetate

phenyl-(2-phenyl-hexahydro-pyrrolo[1,2-c]imidazol-3-yl)-methanone

Downstream raw materials:

(2R,5S)-2-dimethylamino-3-phenyl-1,3-diazaphosphabicyclo[3.3.0^1,5]octane

2-phenyl-hexahydro-pyrrolo[1,2-c]imidazole-3-thione

(3R,7aS)-3-chloro-1,2,5,6,7,7a-hexahydro-2-phenylpyrrolo<1,2-c><1,3,2>diazaphosphole 3-oxide