2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole]

Base Information

• Chemical Name: 2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole]
• CAS No.: 614752-70-4
• Molecular Formula: C₂₁H₂₄N₂O₂
• Molecular Weight: 336.434
• DSSTox Substance ID: DTXSID801150874

Synonyms:DTXSID801150874;2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole];614752-70-4

Chemical Property of 2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole]

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 336.183778013
• Heavy Atom Count: 25
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(OC1)C2=CC=C(C=C2)C(C3=CC=CN3)C4=CC=CN4)C

Technology Process of 2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole]

There total 1 articles about 2,2'-[[4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl]methylene]bis[1H-pyrrole] 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: 48.0%

pyrrole (109-97-7,30604-81-0) + 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde (106456-88-6) → [4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]di(1H-pyrrol-2-yl)methane (614752-70-4)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo0522761

Reference yield: 60.0%

[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]di(1H-pyrrol-2-yl)methane (614752-70-4) + S-2-pyridyl 3,5-di-tert-butylbenzenecarbothioate (378750-93-7) → (3,5-di-tert-butylphenyl){5-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl](1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methanone (878218-33-8)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at -78 - 20 ℃; for 0.5h;

DOI:10.1021/jo0522761

Reference yield: 41.0%

[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]di(1H-pyrrol-2-yl)methane (614752-70-4) + 3,5-di-tert-butylbenzoyl chloride (14377-33-4) → (3,5-di-tert-butylphenyl){5-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl](1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methanone (878218-33-8) + 1,9-bis(3,5-di-tert-butylbenzoyl)-5-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]dipyrromethane (878218-42-9)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; toluene; at 20 ℃; for 0.333333h;

DOI:10.1021/jo0522761

upstream raw materials:

pyrrole

4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde

Downstream raw materials:

(3,5-di-tert-butylphenyl){5-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl](1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methanone

1,9-bis(3,5-di-tert-butylbenzoyl)-5-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]dipyrromethane

1,9-bis(3,5-di-tert-butylbenzoyl)-5-(4-formylphenyl)dipyrromethane

5-[4-[1,9-bis(3,5-di-tert-butylbenzoyl)dipyrromethan-5-yl]phenyl]dipyrromethane

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