1-(4-(Aminomethyl)piperidin-1-yl)ethanone

Base Information

• Chemical Name: 1-(4-(Aminomethyl)piperidin-1-yl)ethanone
• CAS No.: 77445-06-8
• Molecular Formula: C8H16N2O
• Molecular Weight: 156.23
• Hs Code.: 2933399090
• European Community (EC) Number: 820-270-0
• ChEMBL ID: CHEMBL4527386
• DSSTox Substance ID: DTXSID20506897
• Wikidata: Q82362864
• Mol file: 77445-06-8.mol

Synonyms:77445-06-8;1-(4-(Aminomethyl)piperidin-1-yl)ethanone;1-[4-(aminomethyl)piperidin-1-yl]ethanone;1-(1-Acetyl-4-piperidinyl)methanamine;1-[4-(aminomethyl)piperidin-1-yl]ethan-1-one;1-(4-Aminomethyl-piperidin-1-yl)-ethanone;Bis(1-[4-(aminomethyl)piperidin-1-yl]ethan-1-one), oxalic acid;1-Acetyl-4-piperidinemethanamine;CHEMBRDG-BB 4011924;(1-Acetyl-4-piperidinyl)methanamine;1-(1-AcetylL-4-piperidinyl)methanamine;1-[4-(Aminomethyl)-1-piperidyl]ethanone;SCHEMBL315542;1-acetyl-4-piperidinmethanamine;CHEMBL4527386;1-acetyl-4-aminomethylpiperidine;DTXSID20506897;NHULDSLAXOHLGR-UHFFFAOYSA-N;CDA44506;AB6071;MFCD06212924;AKOS011059524;SB11398;AM807137;BS-13364;CS-0054029;EN300-70018;Z871835546

Chemical Property of 1-(4-(Aminomethyl)piperidin-1-yl)ethanone

Chemical Property:

• PSA: 46.33000
• LogP: 0.84180
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.126263138
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-(Aminomethyl)piperidin-1-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)CN

Technology Process of 1-(4-(Aminomethyl)piperidin-1-yl)ethanone

There total 1 articles about 1-(4-(Aminomethyl)piperidin-1-yl)ethanone 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:

sodium hydrogensulfate monohydrate (10034-88-5) + 4-Aminomethylpiperidine (7144-05-0) → 1-acetyl-4-aminomethylpiperidine (77445-06-8)

Guidance literature:

With sodium hydroxide; acetic anhydride; benzaldehyde; triethylamine; In water; benzene;

Reference yield: 44.5%

4-isothiocyanato-1,2-dimethoxybenzene (33904-04-0) + 1-acetyl-4-aminomethylpiperidine (77445-06-8) → C17H25N3O3S

Guidance literature:

In di-iso-propil ether; acetonitrile; at 20 ℃; for 3h;

Reference yield: 37.0%

1-acetyl-4-aminomethylpiperidine (77445-06-8) + 4-acetylisoquinolin-1(2H)-one (87275-00-1) → 4-(1-(((1-acetylpiperidin-4-yl)methyl)amino)ethyl)isoquinolin-1(2H)-one

Guidance literature:

1-acetyl-4-aminomethylpiperidine; 4-acetylisoquinolin-1(2H)-one; With titanium(IV) isopropylate; In tetrahydrofuran; at 90 ℃; for 16h; Inert atmosphere;

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

upstream raw materials:

sodium hydrogensulfate monohydrate

4-Aminomethylpiperidine

Downstream raw materials:

<(1-ethyl-4-piperidyl)methyl>amine

1-[1-(2-fluorophenethyl)piperidin-4-yl]-6-(1-acetylpiperidin-4-yl)methylcarbamoylmethylindole oxalate

C₁₈H₂₄F₃N₃O₅S

C₁₈H₂₄N₄O₅S

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