2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride

Base Information

• Chemical Name: 2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride
• CAS No.: 151410-15-0
• Molecular Formula: C17H18N2.ClH
• Molecular Weight: 286.7992
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL3746443
• DSSTox Substance ID: DTXSID20594234
• Mol file: 151410-15-0.mol

Synonyms:151410-15-0;2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride;2-(1-benzylindol-3-yl)ethanamine;hydrochloride;2-(1-benzyl-1H-indol-3-yl)ethan-1-amine hydrochloride;2-(1-benzyl-1H-indol-3-yl)ethylamine hydrochloride;SCHEMBL7674266;CHEMBL3746443;DTXSID20594234;WPJRVOBVFXWOOU-UHFFFAOYSA-N;2-(1-Benzyl-1H-indol-3-yl)ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of 2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride

Chemical Property:

• Vapor Pressure: 2.33E-09mmHg at 25°C
• Boiling Point: 473.5°C at 760 mmHg
• Flash Point: 240.1°C
• PSA: 30.95000
• LogP: 4.69310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 286.1236763
• Heavy Atom Count: 20
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-Benzyl-1H-indol-3-yl)ethanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCN.Cl

Technology Process of 2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride

There total 2 articles about 2-(1-Benzyl-1H-indol-3-yl)ethanamine hydrochloride 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: 72.0%

2-(2-(1-benzyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione (874916-37-7) → 2-(1-benzyl-1H-indol-3-yl)ethanaminium chloride (151410-15-0)

Guidance literature:

2-(2-(1-benzyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione; With hydrazine hydrate; In ethanol; at 90 ℃; for 24h;

With hydrogenchloride; In ethanol;

DOI:10.1021/acs.jmedchem.5b01482

Reference yield:

N1-benzyl-N10-BOC-tryptamine (264619-79-6) → 2-(1-benzyl-1H-indol-3-yl)ethanaminium chloride (151410-15-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 0 - 20 ℃;

DOI:10.1002/ejoc.200900033

Reference yield: 66.0%

phenyl isothiocyanate (103-72-0) + 2-(1-benzyl-1H-indol-3-yl)ethanaminium chloride (151410-15-0) → 1-[2-(1-benzyl-1H-indol-3-yl)-ethyl]-3-phenyl-thiourea (331631-19-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

N¹-benzyl-N¹⁰-BOC-tryptamine

2-(2-(1-benzyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione

Downstream raw materials:

9-benzyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

1-[2-(1-benzyl-1H-indol-3-yl)-ethyl]-3-phenyl-thiourea

5-[(2S)-3-{[2-(1-benzyl-1H-indol-3-yl)ethyl]amino}-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-oxopropyl]-2-(carboxymethoxy)benzoic Acid

C₂₅H₃₂N₂OSi