4-(Benzylamino)butan-2-one

Base Information

• Chemical Name: 4-(Benzylamino)butan-2-one
• CAS No.: 46231-21-4
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID40458283
• Nikkaji Number: J2.139.376B
• Wikidata: Q82281488
• Mol file: 46231-21-4.mol

Synonyms:4-(benzylamino)butan-2-one;46231-21-4;4-Benzylamino-butan-2-one;4-(Benzylamino)-2-butanone;SCHEMBL5738287;DTXSID40458283;AKOS006243248;AC-17741;EN300-372175

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

Chemical Property:

• Vapor Pressure: 0.00244mmHg at 25°C
• Boiling Point: 287.7oC at 760 mmHg
• Flash Point: 114oC
• PSA: 29.10000
• Density: 0.997g/cm3
• LogP: 2.14620
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

4-BENZYLAMINO-BUTAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCNCC1=CC=CC=C1

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

There total 4 articles about 4-(Benzylamino)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) + benzylamine (100-46-9) → 4-Benzylamino-2-butanon-hydrochlorid (46231-21-4)

Guidance literature:

With SBA-15-supported Co(II) complex; at 20 ℃; for 1h;

DOI:10.1039/b926599f

Reference yield:

C18H19NO → 4-Benzylamino-2-butanon-hydrochlorid (46231-21-4) + benzaldehyde (100-52-7) + N-benzyl-2-phenyl-4-piperidinone (167705-56-8)

Guidance literature:

With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

Reference yield:

methyl vinyl ketone (78-94-4,25038-87-3) + benzylamine (100-46-9) → C11H13N (1415476-94-6) + 4,4'-(benzylazanediyl)dibutan-2-one (37994-54-0) + 4-Benzylamino-2-butanon-hydrochlorid (46231-21-4)

Guidance literature:

With o-benzenedisulfonimide; In neat (no solvent); at 20 ℃; for 0.5h;

DOI:10.1080/00397911.2011.614834

upstream raw materials:

formaldehyd

benzylamine hydrochloride

acetone

methyl vinyl ketone

Downstream raw materials:

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

(E)-N-benzyl-3-(hydroxyimino)butan-1-amine

(E)-(4-Benzylamino-2-butanon-oxim)-hydrochlorid

N-benzyl-N-(3-oxobutyl)-(E)-4-methylpent-2-enamide