4-Benzylaminocyclohexanone

Base Information

• Chemical Name: 4-Benzylaminocyclohexanone
• CAS No.: 142009-99-2
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 2922399090
• European Community (EC) Number: 676-361-9
• DSSTox Substance ID: DTXSID30579774
• Nikkaji Number: J2.661.104K
• Wikidata: Q72440586
• Mol file: 142009-99-2.mol

Synonyms:4-Benzylaminocyclohexanone;142009-99-2;4-(benzylamino)cyclohexanone;4-(benzylamino)cyclohexan-1-one;4-benzylamino-cyclohexanone;4-(N-benzylamino)cyclohexanone;Cyclohexanone, 4-[(phenylmethyl)amino]-;SCHEMBL571765;DTXSID30579774;NMCDGVLRNAILQW-UHFFFAOYSA-N;MFCD06658335;4-benzylaminocyclohexanone, AldrichCPR;AKOS015889753;FS-2182;SB33486;4-[(phenylmethyl)amino]-1-cyclohexanone;4-[(phenylmethyl)amino]cyclohexan-1-one;AM20080727;CS-0005457;A807842

Chemical Property of 4-Benzylaminocyclohexanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 337.539 °C at 760 mmHg
• PKA: 8.97±0.20(Predicted)
• Flash Point: 132.544 °C
• PSA: 29.10000
• Density: 1.06 g/cm³
• LogP: 2.67880
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

4-Benzylaminocyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCC1NCC2=CC=CC=C2

Technology Process of 4-Benzylaminocyclohexanone

There total 13 articles about 4-Benzylaminocyclohexanone 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: 95.6%

4-(N-benzylamino)cyclohexanone ethylene acetal (131511-13-2) → 4-(benzylamino)cyclohexane-1-one (142009-99-2)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 22h;

Reference yield: 92.0%

N-benzyl-trans-4-aminocyclohexanol (162338-03-6) → 4-(benzylamino)cyclohexane-1-one (142009-99-2)

Guidance literature:

With dmap; [2,2]bipyridinyl; 2-azatricyclo[3.3.1.1^3,7]dec-2-yloxidanyl; copper(l) chloride; In acetonitrile; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Time; chemoselective reaction;

DOI:10.1002/anie.201309634

Reference yield: 69.9%

cyclohexanedione monoethylene ketal (4746-97-8) + benzylamine (100-46-9) → 4-(benzylamino)cyclohexane-1-one (142009-99-2)

Guidance literature:

cyclohexanedione monoethylene ketal; benzylamine; With sodium tris(acetoxy)borohydride; In acetic acid; 1,2-dichloro-ethane; at 20 ℃; for 16h;

With hydrogenchloride; In water; acetic acid; 1,2-dichloro-ethane; acetone; at 20 ℃; for 16h;

upstream raw materials:

4-(N-benzylamino)cyclohexanone ethylene acetal

cyclohexanedione monoethylene ketal

benzylamine

N-(1,4-dioxaspiro[4.5]decyl-7-idene)benzylamine

Downstream raw materials:

(4-Benzylamino-cyclohexylidene)-acetic acid ethyl ester