4-(Dibenzylamino)butan-2-one

Base Information

• Chemical Name: 4-(Dibenzylamino)butan-2-one
• CAS No.: 26734-07-6
• Molecular Formula: C18H21 N O
• Molecular Weight: 267.371
• Hs Code.: 2922399090
• NSC Number: 136461
• DSSTox Substance ID: DTXSID00300370
• Nikkaji Number: J892.733B
• Wikidata: Q82043368
• Mol file: 26734-07-6.mol

Synonyms:4-(dibenzylamino)butan-2-one;26734-07-6;4-Dibenzylamino-butan-2-one;NSC136461;CBDivE_010469;SCHEMBL11273441;4-DIBENZYLAMINO-BUTAN-ONE;DTXSID00300370;BBA73407;MFCD01002923;STK374749;AKOS005447449;NSC-136461;AC-17738;AS-42801;CS-0107905;EN300-383954;AB00076325-01;Z89286022

Chemical Property of 4-(Dibenzylamino)butan-2-one

Chemical Property:

• Vapor Pressure: 6.4E-06mmHg at 25°C
• Melting Point: 56.5-58.0 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 378.2°Cat760mmHg
• PKA: 6.98±0.50(Predicted)
• Flash Point: 111.8°C
• PSA: 20.31000
• Density: 1.055g/cm³
• LogP: 3.66790
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 267.162314293
• Heavy Atom Count: 20
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

4-(dibenzylamino)butan-2-one 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CCN(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of 4-(Dibenzylamino)butan-2-one

There total 5 articles about 4-(Dibenzylamino)butan-2-one 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: 98.0%

methyl vinyl ketone (78-94-4,25038-87-3) + dibenzylamine (103-49-1) → 4-dibenzylamino-2-butanone (26734-07-6)

Guidance literature:

With micellar sodium dodecyl sulfate; at 20 ℃; for 0.25h;

DOI:10.1002/adsc.200404348

Reference yield: 96.0%

2-methyl-N,N-bis(phenylmethyl)-1,3-dithiane-2-ethanamine → 4-dibenzylamino-2-butanone (26734-07-6)

Guidance literature:

With acetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; dimethyl sulfoxide; at 25 ℃; for 6h;

DOI:10.1002/anie.200352076 DOI:10.1021/ja0400382

Reference yield: 60.0%

vinyl magnesium bromide (1826-67-1) + N-Methoxy-N-methylacetamide (78191-00-1) + dibenzylamine (103-49-1) → 4-dibenzylamino-2-butanone (26734-07-6) + 4-(methoxy-methyl-amino)-butan-2-one (255845-09-1)

Guidance literature:

vinyl magnesium bromide; N-Methoxy-N-methylacetamide; In tetrahydrofuran; at 0 - 20 ℃; for 1.16667h;

dibenzylamine; In tetrahydrofuran; water; at 20 ℃; for 0.333333h; Further stages.;

DOI:10.1021/jo0057497

upstream raw materials:

methyl vinyl ketone

dibenzylamine

vinyl magnesium bromide

N-Methoxy-N-methylacetamide

Downstream raw materials:

4-[bis(phenylmethyl)amino]-2-butanol

methanesulfonic acid, 1-methyl-3-[(3-cyanopropyl)(phenylmethyl)amino]propyl ester

[3-[(3-cyanopropyl)(phenylmethyl)amino]-1-(R)-methylpropyl]carbamic acid,1,1-dimethylethyl ester

[3-[(4-aminobutyl)(phenylmethyl)amino]-1-(R,S)-methylpropyl]carbamic acid,1,1-dimethylethyl ester