2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline

Base Information

• Chemical Name: 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
• CAS No.: 30223-74-6
• Molecular Formula: C19H21 N
• Molecular Weight: 263.382
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40905025
• Nikkaji Number: J769.262E
• Wikidata: Q27149696
• ChEMBL ID: CHEMBL3542312
• Mol file: 30223-74-6.mol

Synonyms:2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline;30223-74-6;EMDP;5-ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole;CHEBI:80646;SCHEMBL6560311;CHEMBL3542312;DTXSID40905025;UPZKJIHNKKJIKX-UHFFFAOYSA-N;AM20040135;1-Pyrroline, 2-ethyl-5-methyl-3,3-diphenyl-;2-ethyl-5-methyl-3,3-diphenyl-4,5-dihydro-pyrrole;5-ethyl-2-methyl-4,4-diphenyl-2,3-dihydropyrrole;Q27149696;2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl-4,4-diphenyl-

Chemical Property of 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline

Chemical Property:

• Boiling Point: 373.5±42.0 °C(Predicted)
• PKA: 7.39±0.60(Predicted)
• PSA: 12.36000
• Density: 1.00±0.1 g/cm3(Predicted)
• LogP: 4.05150
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 263.167399674
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

99%min ^*data from raw suppliers

2-ETHYL-5-METHYL-3,3-DIPHENYLPYRROLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C

Technology Process of 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline

There total 7 articles about 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline 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:

(+/-)-2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium perchlorate (31161-17-8) → EMDP (30223-74-6) + 4,4-diphenyl-2,5-heptanedione (105774-70-7) + (+/-)-2-(4',4'-diphenylheptan-5'-one-2'-yl)-oxaziridine (96740-79-3,105774-69-4,105774-73-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 0 ℃; for 12h; Further byproducts given;

DOI:10.1016/S0040-4020(01)87424-X

Reference yield:

→ EMDP (30223-74-6)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1007/BF00900974

Reference yield:

→ EMDP (30223-74-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1007/BF00900974

upstream raw materials:

(+/-)-2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium perchlorate

ethylmagnesium bromide

hydrogenchloride

2-ethylidene-5-methyl-3,3-diphenyl-1-propionyl-pyrrolidine

Downstream raw materials:

1-(5-methyl-3,3-diphenyl-4,5-dihydro-3H-pyrrol-2-yl)-ethanon-(O-acetyl oxime )

1-(5-methyl-3,3-diphenyl-4,5-dihydro-3H-pyrrol-2-yl)-ethanone oxime

5-isopropenyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole

Refernces