CAS No.97664-55-6,6-N-Benzylamino-1-(4'-phenylbutoxy)Hexane Suppliers

Products Categories

Pharmaceutical (59)
Organic Chemicals (13)
Others (8)
Reagent (1)
Agrochemicals (1)
Food Additives (1)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	97664-55-6
Name:	6-N-Benzylamino-1-(4'-phenylbutoxy)Hexane
Article Data:	7

Formula:	C₂₃H₃₃NO
Molecular Weight:	339.521
Synonyms:	N-Benzyl-6-(4-phenylbutoxy)hexan-1-amine;[6-(4-Phenylbutoxy)hexyl]benzylamine;6-Benzylamino-1-(4'-phenylbutoxy)hexane;
EINECS:	692-628-2
Density:	0.979 g/cm³
Boiling Point:	467.238 °C at 760 mmHg
Flash Point:	207.26 °C
PSA:	21.26000
LogP:	5.76700

Synthetic route

: 94749-73-2
6-bromohexyl 4-phenylbutyl ether

: 100-46-9
benzylamine

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Stage #1: benzylamine With triethylamine; potassium iodide In acetonitrile at 45℃; Stage #2: 6-bromohexyl 4-phenylbutyl ether In acetonitrile	76%
With triethylamine; sodium iodide	75%
With triethylamine; sodium iodide In dimethyl sulfoxide for 17h; Ambient temperature;	70%
With caesium carbonate In N,N-dimethyl-formamide at 60 - 80℃; for 5h;	38%

: 100-52-7
benzaldehyde

: 97664-58-9
D 2543

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; molecular sieve 2.) ethanol; Yield given. Multistep reaction;

: 629-03-8
1 ,6-dibromohexane

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent / NaOH; tetra-n-butylammonium hydrogen sulphate; benzyltrimethylammonium chloride / CH2Cl2; H2O / 192 h / 20 °C 2: 38 percent / Cs2CO3 / dimethylformamide / 5 h / 60 - 80 °C View Scheme
Multi-step reaction with 4 steps 1: 60 percent 2: NaN3 / dimethylformamide 3: lithium aluminum hydride 4: 1.) mol. sieves; 2.) NaBH4 / 2.) ethanol View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide; tetrabutylammomium bromide / toluene / 10 h / 20 °C 2: triethylamine; potassium iodide / acetonitrile / 45 °C View Scheme

: 3360-41-6
4-phenyl-butan-1-ol

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent / NaOH; tetra-n-butylammonium hydrogen sulphate; benzyltrimethylammonium chloride / CH2Cl2; H2O / 192 h / 20 °C 2: 38 percent / Cs2CO3 / dimethylformamide / 5 h / 60 - 80 °C View Scheme
Multi-step reaction with 2 steps 1: 81 percent / NaH / tetrahydrofuran / 7 h / Ambient temperature 2: 70 percent / Et3N, NaI / dimethylsulfoxide / 17 h / Ambient temperature View Scheme
Multi-step reaction with 4 steps 1: 60 percent 2: NaN3 / dimethylformamide 3: lithium aluminum hydride 4: 1.) mol. sieves; 2.) NaBH4 / 2.) ethanol View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide; tetrabutylammomium bromide / toluene / 10 h / 20 °C 2: triethylamine; potassium iodide / acetonitrile / 45 °C View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydroxide / 2 h / 60 °C 1.2: 4 h / 110 °C 2.1: triethylamine / toluene / 5 h / 5 - 10 °C 3.1: sodium hydroxide / toluene / 12 h / 110 °C View Scheme

: 629-03-8
1 ,6-dibromohexane

sodium-compound of (+-)-cyclopenten-(2)-yl-malonic acid diethyl ester: sodium-compound of (+-)-cyclopenten-(2)-yl-malonic acid diethyl ester

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 81 percent / NaH / tetrahydrofuran / 7 h / Ambient temperature 2: 70 percent / Et3N, NaI / dimethylsulfoxide / 17 h / Ambient temperature View Scheme

: 94749-73-2
6-bromohexyl 4-phenylbutyl ether

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaN3 / dimethylformamide 2: lithium aluminum hydride 3: 1.) mol. sieves; 2.) NaBH4 / 2.) ethanol View Scheme

: 168412-89-3
1-azido-6-(4-phenylbutoxy)hexane

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium aluminum hydride 2: 1.) mol. sieves; 2.) NaBH4 / 2.) ethanol View Scheme

: N-[6-(4-phenylbutoxy)hexyl] benzenemethanamine hydrochloride

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane; water at 25 - 30℃; for 0.5h; pH=~ 8;

: 135235-81-3
6-(4-phenylbutyloxy)hexyl methanesulfonate

: 100-46-9
benzylamine

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
With sodium hydroxide In toluene at 110℃; for 12h;

: 629-11-8
1,6-hexanediol

: 97664-55-6
N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide / 2 h / 60 °C 1.2: 4 h / 110 °C 2.1: triethylamine / toluene / 5 h / 5 - 10 °C 3.1: sodium hydroxide / toluene / 12 h / 110 °C View Scheme

Total:70 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 97664-55-6

Specification

The 6-Benzylamino-1-(4'-phenylbutoxy)hexane, with the CAS registry number 97664-55-6, is also known as [6-(4-Phenylbutoxy)hexyl]benzylamine. This chemical's molecular formula is C₂₃H₃₃NO and molecular weight is 339.51. What's more, its systematic name is N-Benzyl-6-(4-phenylbutoxy)-1-hexanamine.

Physical properties of 6-Benzylamino-1-(4'-phenylbutoxy)hexane are: (1)ACD/LogP: 5.729; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 11.31; (6)ACD/BCF (pH 7.4): 68.46; (7)ACD/KOC (pH 5.5): 26.48; (8)ACD/KOC (pH 7.4): 160.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 21.26 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 107.325 cm³; (15)Molar Volume: 346.692 cm³; (16)Polarizability: 42.547×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 207.26 °C; (20)Enthalpy of Vaporization: 72.918 kJ/mol; (21)Boiling Point: 467.238 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCCc1ccccc1)CCCCCCNCc2ccccc2
(2)Std. InChI: InChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2
(3)Std. InChIKey: JWLIKZBRVQRFNF-UHFFFAOYSA-N