1-(Thiophen-2-ylmethyl)piperidin-4-amine

Base Information

• Chemical Name: 1-(Thiophen-2-ylmethyl)piperidin-4-amine
• CAS No.: 82378-85-6
• Molecular Formula: C₁₀H₁₆N₂S
• Molecular Weight: 196.316
• Hs Code.: 2934999090
• European Community (EC) Number: 860-910-6
• Mol file: 82378-85-6.mol

Synonyms:1-(thiophen-2-ylmethyl)piperidin-4-amine;82378-85-6;1-(2-thienylmethyl)piperidin-4-amine;1-(2-thienylmethyl)-4-piperidinamine;1-[(thiophen-2-yl)methyl]piperidin-4-amine;SCHEMBL4621963;NQQVCDIEQDMPOD-UHFFFAOYSA-N;MFCD10005762;STK501420;AKOS000321728;4-amino-N-(2-thienylmethyl)piperidine;SB41406;LS-02990;EN300-56302;G30439;1-(2-thienylmethyl)piperidin-4-amine(SALTDATA: 2HCl);F1907-3291;Z362837084

Chemical Property of 1-(Thiophen-2-ylmethyl)piperidin-4-amine

Chemical Property:

• Boiling Point: 282.5±35.0 °C(Predicted)
• PKA: 10.37±0.20(Predicted)
• PSA: 57.50000
• Density: 1.135±0.06 g/cm3(Predicted)
• LogP: 2.30940
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 196.10341969
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

1-(Thiophen-2-ylmethyl)piperidin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N)CC2=CC=CS2

Technology Process of 1-(Thiophen-2-ylmethyl)piperidin-4-amine

There total 5 articles about 1-(Thiophen-2-ylmethyl)piperidin-4-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: 90.0%

tert-butyl (1-(thiophen-2-ylmethyl)piperidin-4-yl)carbamate → 1-(thiophen-2-ylmethyl)piperidin-4-amine (82378-85-6)

Guidance literature:

tert-butyl (1-(thiophen-2-ylmethyl)piperidin-4-yl)carbamate; With hydrogenchloride; In diethyl ether; at 20 ℃; for 16h;

With hydrogenchloride; In 1,4-dioxane; for 3h;

DOI:10.1021/acs.jmedchem.7b00924

Reference yield:

1-(2-thiopheneyl)methyl-4-piperidone (41661-54-5) + nickel (7440-02-0) → 1-(thiophen-2-ylmethyl)piperidin-4-amine (82378-85-6)

Guidance literature:

With hydroxylamine; In sodium hydroxide;

Reference yield:

(piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) → 1-(thiophen-2-ylmethyl)piperidin-4-amine (82378-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium tris(acetoxy)borohydride / dichloromethane / 11 h / 20 °C / Inert atmosphere

2.1: hydrogenchloride / diethyl ether / 16 h / 20 °C

2.2: 3 h

With hydrogenchloride; sodium tris(acetoxy)borohydride; In diethyl ether; dichloromethane;

DOI:10.1021/acs.jmedchem.7b00924

upstream raw materials:

1-(2-thiopheneyl)methyl-4-piperidone

nickel

(piperidin-4-yl)carbamic acid tert-butyl ester

thiophene-2-carbaldehyde

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