1-Methyl-2-phenyl-4,5-dihydropyrrol

Base Information

• Chemical Name: 1-Methyl-2-phenyl-4,5-dihydropyrrol
• CAS No.: 4170-67-6
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID001277210
• Nikkaji Number: J2.172.611G
• Mol file: 4170-67-6.mol

Synonyms:4170-67-6;SCHEMBL8991998;DTXSID001277210;1-methyl-2-phenyl-4,5-dihydropyrrol;2,3-Dihydro-1-methyl-5-phenyl-1H-pyrrole

Chemical Property of 1-Methyl-2-phenyl-4,5-dihydropyrrol

Chemical Property:

• PSA: 46.53000
• LogP: 3.07310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC=C1C2=CC=CC=C2

Technology Process of 1-Methyl-2-phenyl-4,5-dihydropyrrol

There total 5 articles about 1-Methyl-2-phenyl-4,5-dihydropyrrol 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: 85.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + phenylmagnesium bromide (100-58-3) → 1-methyl-5-phenyl-2,3-dihydro-pyrrole (4170-67-6)

Guidance literature:

1-methyl-pyrrolidin-2-one; phenylmagnesium bromide; In diethyl ether; at 20 ℃; Cooling with ice; Inert atmosphere;

With hydrogenchloride; water; In diethyl ether; pH=3 - 4; Cooling with ice;

With sodium hydroxide; In water;

DOI:10.1021/ja808358r

Reference yield:

4-bromo-1-phenyl-1-butanone (24070-52-8) + methylamine (74-89-5) → 1-methyl-5-phenyl-2,3-dihydro-pyrrole (4170-67-6) + cyclopropyl phenyl ketone (3481-02-5)

Guidance literature:

With methanol;

Reference yield:

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) → 1-methyl-5-phenyl-2,3-dihydro-pyrrole (4170-67-6)

Guidance literature:

With diethyl ether; phenylmagnesium bromide; Hydrolysis_.Erh_. des nach Hydrolyse erhaltenen Rktprod_. mit wss. NaOH;

DOI:10.1021/ja01328a035

upstream raw materials:

1-methyl-pyrrolidin-2-one

4-bromo-1-phenyl-1-butanone

methylamine

N-methylsuccinimide

Downstream raw materials:

1-methyl-2-phenylpyrrolidine

4-Dicyanomethylen-1-methyl-2,3,5-triphenyl-1,4,7,8-tetrahydroazocin

(S)-(-)-1-methyl-2-phenylpyrrolidine