(S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine

Base Information

• Chemical Name: (S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine
• CAS No.: 147769-93-5
• Molecular Formula: C16H26N2
• Molecular Weight: 246.396
• Hs Code.: 29333990
• European Community (EC) Number: 604-603-5
• UNII: DRF24F0TA7
• DSSTox Substance ID: DTXSID10163796
• Wikidata: Q27276561
• Mol file: 147769-93-5.mol

Synonyms:147769-93-5;(S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine;(S)-3-Methyl-1-(2-(1-piperidinyl)phenyl)butylamine;(s)-3-methyl-1-(2-piperidin-1-ylphenyl)butylamine;(S)-3-Methyl-1-(2-piperidin-1-yl-phenyl)butylamine;3-Methyl-1-(2-piperidinophenyl)-1-butylamine, (S)-;(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine;UNII-DRF24F0TA7;DRF24F0TA7;(s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butylamine;(+)-3-Methyl-1-(2-piperidinophenyl)-1-butylamine;Repaglinide specified impurity C [EP];(S)-3-METHYL-1-(2-PIPERIDINOPHENYL)-1-BUTYLAMINE;(1S)-3-Methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine;EC 604-603-5;BENZENEMETHANAMINE, ALPHA-(2-METHYLPROPYL)-2-(1-PIPERIDINYL)-, (ALPHAS)-;SCHEMBL390826;DTXSID10163796;CARYLRSDNWJCJV-HNNXBMFYSA-N;XFA76993;MFCD03839861;AKOS015889755;AM84445;112GI006;DS-12225;CS-0154325;REPAGLINIDE IMPURITY C [EP IMPURITY];A13906;(s)-1-(2-piperidino-phenyl)-3-methyl-1-butylamine;Q-101331;(s)-3-methyl-1-(2-(1-piperidinyl)phenyl)-butylamine;(s)-3-methyl-1-(2-piperidin-1-ylphenyl) butylamine;(S)-3-Methyl-1-(2-piperidino-phenyl)-1-butyl-amine;(S)-3-Methyl-1-(2-piperidino-phenyl)-1-butylamine;(s)-3-methyl-1-[2-(1-piperidinyl)-phenyl]butylamine;Q27276561;(S)-3- methyl-1-[2-(1- piperidinyl)phenyl]butylamine;(S)-3-Methyl-1-[(2-Piperidin-1-Yl)phenyl]butylamine;BENZENEMETHANAMINE, .ALPHA.-(2-METHYLPROPYL)-2-(1-PIPERIDINYL)-, (.ALPHA.S)-

Chemical Property of (S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 370.5 °C at 760 mmHg
• PKA: 10.20±0.10(Predicted)
• Flash Point: 164.7 °C
• PSA: 29.26000
• Density: 0.99 g/cm³
• LogP: 4.48810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 246.209598838
• Heavy Atom Count: 18
• Complexity: 233

Purity/Quality:

99.9% ^*data from raw suppliers

(S)-3-Methyl-1-(2-piperidine-1-yl-phenyl)butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C1=CC=CC=C1N2CCCCC2)N
• Isomeric SMILES: CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N

Technology Process of (S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine

There total 44 articles about (S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine 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: 94.0%

C23H32N2 (799255-58-6) → (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine (147769-93-5)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; at 60 ℃; for 8h; under 3750.38 Torr; Concentration;

Reference yield: 74.6%

C20H32N2OS → (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine (147769-93-5)

Guidance literature:

C₂₀H₃₂N₂OS; With hydrogenchloride; at 0 - 20 ℃; for 1h; pH=1-2;

With palladium 10% on activated carbon; hydrogen; under 760.051 Torr;

Reference yield:

N-<(S)-3-methyl-1-<2-(1-pieridinyl)phenyl>butyl>-N-<(S')-1-phenethyl>-amine (147770-01-2) → (R)-3-methyl-1-(2-(1-pieridinyl)phenyl)-butylamine (219921-93-4) + (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine (147769-93-5)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In water; at 50 ℃; for 5h; under 3750.3 Torr; Yield given; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jm9810349

upstream raw materials:

(S)-1-(2-piperidino-phenyl)-3-methyl-1-butylamine

N-acetyl-N-<(S)-3-methyl-1-(2-(1-piperidinyl)phenyl)-1-butyl>-amine

N-<(S)-3-methyl-1-<2-(1-piperidinyl)phenyl>butyl>-N-<(R')-1-phenethyl>-amine

N-<(S)-3-methyl-1-<2-(1-pieridinyl)phenyl>butyl>-N-<(S')-1-phenethyl>-amine

Downstream raw materials:

N-acetyl-N-<(S)-3-methyl-1-(2-(1-piperidinyl)phenyl)-1-butyl>-amine

(S)-repaglinide

2-ethoxy-N-[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzamide

(R)-(-)-ethyl 2-ethoxy-4-<2-<<3-methyl-1-<2-(1-piperidinyl)phenyl>butyl>amino>-2-oxoethyl>-benzoate

Refernces

• 1、 -. "Synthesis method of repaglinide". . . Retrieved 2019/07/16.
• 2、 Rajendiran, Chinnapillai,Nagarajan, Periyandi,Naidu,Dubey. "Reversal diastereoselectivity between the organomagnesium and organolithium reagents on Chiral N-tert-butylsulfinylaldimines for the preparation of chiral amines". . p. 2936 - 2942. Retrieved 2014/11/08.