3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile

Base Information

• Chemical Name: 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile
• CAS No.: 102393-33-9
• Molecular Formula: C₃₈H₄₂Cl₂N₆
• Molecular Weight: 653.698
• Mol file: 102393-33-9.mol

Synonyms:3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile

Chemical Property of 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile

There total 21 articles about 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile 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:

C36H52N2O4 (102393-15-7) → 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile (102393-33-9)

Guidance literature:

Multi-step reaction with 7 steps

1: PhCH₂ONa / Heating

2: H₂, triethylamine / 10 percent Pd/C / tetrahydrofuran / Ambient temperature

3: dimethylformamide / Heating

4: POCl₃ / CH₂Cl₂

5: NaHCO₃ / H₂O / Heating

6: cyclohexylamine / toluene / Heating

7: SO₂Cl₂ / CH₂Cl₂ / Ambient temperature

With sulfuryl dichloride; hydrogen; sodium hydrogencarbonate; cyclohexylamine; triethylamine; sodium phenyl-methanolate; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; toluene;

Reference yield:

C46H56N2O4 (102393-18-0) → 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile (102393-33-9)

Guidance literature:

Multi-step reaction with 6 steps

1: H₂, triethylamine / 10 percent Pd/C / tetrahydrofuran / Ambient temperature

2: dimethylformamide / Heating

3: POCl₃ / CH₂Cl₂

4: NaHCO₃ / H₂O / Heating

5: cyclohexylamine / toluene / Heating

6: SO₂Cl₂ / CH₂Cl₂ / Ambient temperature

With sulfuryl dichloride; hydrogen; sodium hydrogencarbonate; cyclohexylamine; triethylamine; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; toluene;

Reference yield:

1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene (3022-16-0) → 3-{5-Chloromethyl-4-[4-(4-{4-[2-chloromethyl-5-(2,2-dicyano-vinyl)-4-methyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3-methyl-1H-pyrrol-2-yl}-2-cyano-acrylonitrile (102393-33-9)

Guidance literature:

Multi-step reaction with 18 steps

1: 1.) Na / 1.) ethanol; 2.) ethanol, reflux, 0.5 h

2: H₂O, KOH / Heating

3: 94.7 percent / quinoline / 0.33 h / Heating

4: 89.4 percent / cc. H₂SO₄ / toluene

5: 89.6 percent / B₂H₆ / tetrahydrofuran

6: 91.2 percent / 48 percent HBr / H₂O / 0.5 h / Heating

7: 97 percent / ethanol / 4 h / Heating

8: 98 percent / H₂O, KOH / ethanol / Heating

9: SOCl₂ / Heating

10: SnCl₂ / CH₂Cl₂; nitromethane / Ambient temperature

11: B₂H₆ / tetrahydrofuran

12: PhCH₂ONa / Heating

13: H₂, triethylamine / 10 percent Pd/C / tetrahydrofuran / Ambient temperature

14: dimethylformamide / Heating

15: POCl₃ / CH₂Cl₂

16: NaHCO₃ / H₂O / Heating

17: cyclohexylamine / toluene / Heating

18: SO₂Cl₂ / CH₂Cl₂ / Ambient temperature

With quinoline; potassium hydroxide; thionyl chloride; sulfuryl dichloride; sulfuric acid; water; hydrogen bromide; hydrogen; sodium; sodium hydrogencarbonate; cyclohexylamine; triethylamine; sodium phenyl-methanolate; tin(ll) chloride; diborane; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; nitromethane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;

upstream raw materials:

2-Cyano-3-{4-[4-(4-{4-[5-(2,2-dicyano-vinyl)-2,4-dimethyl-1H-pyrrol-3-yl]-butyl}-2,3,5,6-tetramethyl-phenyl)-butyl]-3,5-dimethyl-1H-pyrrol-2-yl}-acrylonitrile

3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole

1-methylbuta-1,3-diene

1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene

Downstream raw materials:

C₅₈H₇₀N₈O₄

C₄₆H₆₂N₄O₂

C₄₈H₆₂N₄O₆

Refernces

• 1、 David, Shantha,Dolphin, David,James, Brian R.,Paine III, John B.,Wijesekera, Tilak P.,et al.. "SYNTHESIS AND CHARACTERIZATION OF DURENE-CAPPED PORPHYRINS AND THE CRYSTAL STRUCTURE OF A HEMIN DERIVATIVE". . p. 208 - 212. Retrieved 2007/10/02.