Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole

 EINECS N/A
CAS No. 116673-95-1 Density 0.97 g/cm3
PSA 12.36000 LogP 2.53560
Solubility N/A Melting Point N/A
Formula C13H17N Boiling Point 271.509 °C at 760 mmHg
Molecular Weight 187.285 Flash Point 109.789 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 116673-95-1 (5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole) Hazard Symbols N/A
Synonyms

2-Benzyl-4,4-dimethyl-1-pyrroline;5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole;

Article Data 9

5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole Synthetic route

2,2-dimethyl-5-phenylpent-4-yn-1-amine oxalate

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
With silver tetrafluoroborate In dichloromethane for 6h; Reflux;100%
1198092-67-9

(E)-N-(2,2-dimethyl-5-phenylpent-4-yn-1-ylidene)benzylamine

144-62-7

oxalic acid

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Stage #1: (E)-N-(2,2-dimethyl-5-phenylpent-4-yn-1-ylidene)benzylamine With potassium 3,7-dimethyloctan-3-olate In tetrahydrofuran at 0℃; for 1h;
Stage #2: oxalic acid With water In toluene for 0.5h; Reflux;
Stage #3: With silver tetrafluoroborate In dichloromethane at 40℃; for 6h;		100%
100-44-7

benzyl chloride

116673-94-0

4-chloro-3,3-dimethylbutyronitrile

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Stage #1: benzyl chloride With magnesium
Stage #2: 4-chloro-3,3-dimethylbutyronitrile In diethyl ether; toluene for 5h; Reflux;		70%
With magnesium 1.) ether, reflux, 2 h, 2.) DMSO, 110-120 deg C, 3 h; Yield given. Multistep reaction;
Stage #1: benzyl chloride With magnesium In diethyl ether Grignard reaction;
Stage #2: 4-chloro-3,3-dimethylbutyronitrile In diethyl ether; toluene for 5h; Grignard reaction; Reflux;
116673-94-0

4-chloro-3,3-dimethylbutyronitrile

6921-34-2

benzylmagnesium chloride

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Stage #1: 4-chloro-3,3-dimethylbutyronitrile; benzylmagnesium chloride In diethyl ether for 2h; Reflux;
Stage #2: In toluene for 3h; Reflux;		70%
399559-70-7

(E)-2,2-dimethyl-5-phenyl-4-pentenyl-1-amine

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
With N-methylcyclohexylamine; Allyl acetate; potassium carbonate; [RuCl2(CO)3]2*1,3-bis(diphenylphosphino)propane at 120℃; for 22h;
103804-80-4

3,3-dimethyl-4-hydroxy butyronitrile

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 71 percent / SOCl2, pyridine / 0.17 h / Heating
2: 1.) Mg / 1.) ether, reflux, 2 h, 2.) DMSO, 110-120 deg C, 3 h
View Scheme
Multi-step reaction with 2 steps
1.1: pyridine; thionyl chloride / 0 °C
2.1: diethyl ether / 2 h / Reflux
2.2: 3 h / Reflux
View Scheme

2,2-Dimethyl-3-chlor-propanol-1-ol

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 21 percent / dimethylsulfoxide / 6 h / 150 - 160 °C
2: 71 percent / SOCl2, pyridine / 0.17 h / Heating
3: 1.) Mg / 1.) ether, reflux, 2 h, 2.) DMSO, 110-120 deg C, 3 h
View Scheme

C13H18ClN

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
With hydrogenchloride In water at 0 - 45℃; for 1.75 - 2h; pH=0.5 - 1.5; Industry scale;
950672-88-5

2,2-dimethyl-4-oxo-5-phenyl-1-nitropentane

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Stage #1: 2,2-dimethyl-4-oxo-5-phenyl-1-nitropentane With hydrogen; Raney nickel In methanol at 50 - 60℃; under 750.075 - 3000.3 Torr;
Stage #2: With hydrogenchloride In water; toluene at 15 - 45℃; for 0.25 - 0.333333h;
Stage #3: In water at 5 - 10℃; pH=10 - 11; Alkaline conditions;
1003-85-6

5.5-dimethyl-1,3,2-dioxathiane-2-oxide

116673-95-1

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: dimethyl sulfoxide / 36 h / 100 °C
2.1: pyridine; thionyl chloride / 0 °C
3.1: diethyl ether / 2 h / Reflux
3.2: 3 h / Reflux
View Scheme

5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole Specification

The 5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole with the CAS number 116673-95-1 is also called 2H-Pyrrole,3,4-dihydro-3,3-dimethyl-5-(phenylmethyl)-. The systematic name is 5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole. Its molecular formula is C13H17N. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.36Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 60.574 cm3; (9)Molar Volume: 193.131 cm3; (10)Polarizability: 24.014×10-24cm3; (11)Surface Tension: 33.978 dyne/cm; (12)Enthalpy of Vaporization: 48.922 kJ/mol; (13)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C(/Cc1ccccc1)CC(C)(C)C/2
(2)InChI: InChI=1/C13H17N/c1-13(2)9-12(14-10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
(3)InChIKey: IDLOIKCKXBJPPI-UHFFFAOYAI

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 116673-95-1