CAS No.524-81-2,5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE Suppliers

Products Categories

Pharmaceutical (26)
Others (7)
Organic Chemicals (7)
Materials (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	524-81-2
Name:	5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
Article Data:	6

Formula:	C₁₉H₂₀N₂
Molecular Weight:	276.381
Synonyms:	1H-Pyrido[4,3-b]indole,5-benzyl-2,3,4,5-tetrahydro-2-methyl- (7CI);2H-Pyrido[4,3-b]indole,5-benzyl-1,3,4,5-tetrahydro-2-methyl- (6CI);3-Methyl-9-benzyl-1,2,3,4-tetrahydro-g-carboline;5-Benzyl-1,2,3,4-tetrahydro-2-methyl-g-carboline;5-Benzyl-1,3,4,5-tetrahydro-2-methyl-2H-pyrido[4,3-b]indole;Mebhydrolin;N-Methyl-9-benzyltetrahydro-g-carboline;
EINECS:	208-364-4
Density:	1.12 g/cm³
Melting Point:	95°
Boiling Point:	457.3 °C at 760 mmHg
Flash Point:	230.4 °C
PSA:	8.17000
LogP:	3.61540

Synthetic route

: mebhydroline 1,5-naphtalenedisulfonate

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
With sodium hydroxide	97%

: 3-methyl-9-benzyl-γ-carbolinium chloride

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 24h;	73%

: 1445-73-4
1-Methyl-4-piperidone

: 614-31-3
N-benzyl-N-phenylhydrazine

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
With hydrogenchloride
With sulfuric acid

: 100-44-7
benzyl chloride

sodium-compound of pentadiene-(1.3): sodium-compound of pentadiene-(1.3)

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 88 percent / propan-2-ol / 3.5 h / Heating 2: 73 percent / NaBH4 / aq. ethanol / 24 h / 20 °C View Scheme

: 115191-20-3
2-methyl-2H-pyrido[4,3-b]indole

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 88 percent / propan-2-ol / 3.5 h / Heating 2: 73 percent / NaBH4 / aq. ethanol / 24 h / 20 °C View Scheme

: 13221-89-1, 56026-45-0
1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 5.17 h / Reflux 2: 10 h / Reflux View Scheme

: 34737-83-2
1-methylpiperidin-4-one hydrochloride

: 614-31-3
N-benzyl-N-phenylhydrazine

: 524-81-2
mebhydrolin

Conditions

Conditions	Yield
for 10h; Time; Reflux;

: 74-83-9
methyl bromide

: 524-81-2
mebhydrolin

: 5-Benzyl-2,3,4,5-tetrahydro-2,2-dimethyl-1H-pyrido[4,3-b]indol-2-ium-bromid

Conditions

Conditions	Yield
In ethanol for 18h; cooling;	94%

: 524-81-2
mebhydrolin

: 107-14-2
chloroacetonitrile

: 5-benzyl-2-cyanomethyl-2-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol-2-ium chloride

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	92%

: 524-81-2
mebhydrolin

: 105-36-2
ethyl bromoacetate

: 5-benzyl-2-(2-ethoxy-2-oxoethyl)-2-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol-2-ium bromide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 48h;	91%

Total:39 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 524-81-2

Specification

The 1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-, with CAS registry number 524-81-2, belongs to the following product category: Intermediates of Sertraline. It has the systematic name of 5-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole. And the chemical formula of this chemical is C₁₉H₂₀N₂.

Physical properties of 1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 15.04; (7)ACD/KOC (pH 5.5): 4.18; (8)ACD/KOC (pH 7.4): 79.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 87.64 cm³; (15)Molar Volume: 245.1 cm³; (16)Polarizability: 34.74×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 230.4 °C; (20)Enthalpy of Vaporization: 71.74 kJ/mol; (21)Boiling Point: 457.3 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c12c4c(n(c1CCN(C2)C)Cc3ccccc3)cccc4
(2)InChI: InChI=1/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
(3)InChIKey: FQQIIPAOSKSOJM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
(5)Std. InChIKey: FQQIIPAOSKSOJM-UHFFFAOYSA-N