4-Methoxy-4'-pyrrolidinomethyl benzophenone

Base Information

• Chemical Name: 4-Methoxy-4'-pyrrolidinomethyl benzophenone
• CAS No.: 898776-01-7
• Molecular Formula: C19H21NO2
• Molecular Weight: 295.38
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10582968
• Wikidata: Q82474480
• Mol file: 898776-01-7.mol

Synonyms:4-methoxy-4'-pyrrolidinomethyl benzophenone;898776-01-7;(4-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone;MFCD03841501;4-methoxy-4'-pyrrolidinomethylbenzophenone;SCHEMBL5591854;DTXSID10582968;AKOS016019878;(4-Methoxyphenyl){4-[(pyrrolidin-1-yl)methyl]phenyl}methanone

Chemical Property of 4-Methoxy-4'-pyrrolidinomethyl benzophenone

Chemical Property:

• Vapor Pressure: 7.53E-08mmHg at 25°C
• Boiling Point: 437.3°C at 760 mmHg
• Flash Point: 218.3°C
• PSA: 29.54000
• Density: 1.135g/cm³
• LogP: 3.45990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 295.157228913
• Heavy Atom Count: 22
• Complexity: 348

Purity/Quality:

95% ^*data from raw suppliers

4-methoxy-4'-pyrrolidinomethylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CCCC3

Technology Process of 4-Methoxy-4'-pyrrolidinomethyl benzophenone

There total 5 articles about 4-Methoxy-4'-pyrrolidinomethyl benzophenone 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: 68.0%

→ (4-methoxyphenyl)[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (898776-01-7)

Guidance literature:

Reference yield:

pyrrolidine (123-75-1) + 4-bromomethyl-4'methoxybenzophenone (87204-00-0) → (4-methoxyphenyl)[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (898776-01-7)

Guidance literature:

With triethylamine; In acetonitrile; at 0 ℃; for 1h;

DOI:10.1021/jm061429p

Reference yield:

para-bromotoluene (106-38-7) → (4-methoxyphenyl)[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (898776-01-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Mg; I₂ / tetrahydrofuran / Heating

1.2: 75 percent / tetrahydrofuran / 4 h / 75 °C

2.1: N-bromosuccinimide; α,α'-azobis(isobutyronitrile) / CCl4 / 3 h / Heating

3.1: 1.3 g / Et₃N / acetonitrile / 1 h / 0 °C

With N-Bromosuccinimide; azobisisobutyronitrile; iodine; magnesium; triethylamine; In tetrahydrofuran; tetrachloromethane; acetonitrile; 1.2: Grignard reaction;

DOI:10.1021/jm061429p

upstream raw materials:

pyrrolidine

4-bromomethyl-4'methoxybenzophenone

para-bromotoluene

4-methoxy-4'-methylbenzophenone

Downstream raw materials:

(+/-)-(4-methoxyphenyl)[4-(pyrrolidin-1-ylmethyl)phenyl]phenylmethanol

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