1H-Indole-3-ethanamine, 7-chloro-

Base Information

• Chemical Name: 1H-Indole-3-ethanamine, 7-chloro-
• CAS No.: 3804-16-8
• Molecular Formula: C₁₀H₁₁ClN₂
• Molecular Weight: 194.664
• DSSTox Substance ID: DTXSID50191457
• Nikkaji Number: J3.191.127C
• Wikidata: Q83063979
• Pharos Ligand ID: ANWAPSGVTW2V
• ChEMBL ID: CHEMBL3330643
• Mol file: 3804-16-8.mol

Synonyms:3804-16-8;2-(7-chloro-1H-indol-3-yl)ethanamine;1H-Indole-3-ethanamine, 7-chloro-;CHEMBL3330643;2-(7-CHLORO-1H-INDOL-3-YL)ETHAN-1-AMINE;7-Chloro-1H-indole-ethanamine;7-chloro-1H-indole-3-ethanamine;7-chlorotryptamine;SCHEMBL2535159;DTXSID50191457;QKRNGBURTLCWBQ-UHFFFAOYSA-N;7-chloro-1 H-indole-3-ethanamine;BDBM50025219;AKOS006303589;EN300-194465;F70441

Chemical Property of 1H-Indole-3-ethanamine, 7-chloro-

Chemical Property:

• Vapor Pressure: 7.61E-06mmHg at 25°C
• Melting Point: 96 °C
• Boiling Point: 375.7°Cat760mmHg
• PKA: 15.62±0.30(Predicted)
• Flash Point: 181°C
• Density: 1.294g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 194.0610761
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

2-(7-CHLORO-1H-INDOL-3-YL)ETHAN-1-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC=C2CCN

Technology Process of 1H-Indole-3-ethanamine, 7-chloro-

There total 14 articles about 1H-Indole-3-ethanamine, 7-chloro- 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: 98.0%

tryptamine (61-54-1) → 2-(7-chloro-1H-indol-3-yl)ethanamine (3804-16-8)

Guidance literature:

With glucose dehydrogenase; D-glucose; maltose binding protein-rebeccamycin halogenase; rebeccamycin halogenase variant 0S; flavin adenine dinucleotide; NADH; sodium chloride; In isopropyl alcohol; at 25 ℃; pH=7.4; Kinetics; Enzymatic reaction;

DOI:10.1039/c5sc04680g

Reference yield: 51.0%

di-tert-butyl dicarbonate (24424-99-5) + C15H15ClN2O → 2-(7-chloro-1H-indol-3-yl)ethanamine (3804-16-8)

Guidance literature:

With dmap; In tetrahydrofuran; at 40 ℃;

DOI:10.1002/anie.202101104

Reference yield:

ethereal HCl + 2-(4,4-diethoxybutyl)isoindoline-1,3-dione (32464-55-4) + o-chlorophenylhydrazine hydrochloride (41052-75-9) → 2-(7-chloro-1H-indol-3-yl)ethanamine (3804-16-8)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; hydrazine hydrate; In methanol; ethanol; chloroform;

upstream raw materials:

8-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-one

ethyleneimine

7-chloro-1H-indole

2-(7-chloro-1H-indol-3-yl)-2-oxoacetyl chloride

Downstream raw materials:

C₁₇H₁₇ClN₂

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