3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide

Base Information

Chemical Name:3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide
CAS No.:111040-90-5
Molecular Formula:BrH*Br*C₁₄H₂₁N₂
Molecular Weight:378.15
Hs Code.:
European Community (EC) Number:683-048-0
DSSTox Substance ID:DTXSID50585014
Mol file:111040-90-5.mol

Synonyms:111040-90-5;3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide;SCHEMBL5555673;DTXSID50585014;1-(3-Aminopropyl)-2,3,3-trimethyl-3H-indol-1-ium bromide--hydrogen bromide (1/1/1)

Suppliers and Price of 3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide

Chemical Property:

Melting Point:251-254 °C
PSA：29.03000
LogP:1.05270
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:378.01292
Heavy Atom Count:18
Complexity:291

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=[N+](C2=CC=CC=C2C1(C)C)CCCN.Br.[Br-]

Technology Process of 3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide

There total 2 articles about 3-(2,3,3-Trimethylindol-1-ium-1-yl)propan-1-amine;bromide;hydrobromide 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: 85.0%

: 1640-39-7
2,3,3-trimethylindoleniune

: 5003-71-4
3-bromopropylamine hydrochloride

: 111040-90-5
1-(3-aminopropyl)-2,3,3-trimethyl-3H-indol-1-ium bromide hydrobromide

Guidance literature:: at 110 - 120 ℃; for 10h; Inert atmosphere;
DOI:10.1002/anie.201007841

Reference yield: 85.0%

: 1640-39-7
2,3,3-trimethylindoleniune

: 24566-81-2
4-bromo-n-butan-1-amine hydrobromide

: 111040-90-5
1-(3-aminopropyl)-2,3,3-trimethyl-3H-indol-1-ium bromide hydrobromide

Guidance literature:: at 120 ℃; for 10h; Sealed tube; Inert atmosphere;
DOI:10.1039/c5cc01601k

Reference yield:

: 111040-90-5
1-(3-aminopropyl)-2,3,3-trimethyl-3H-indol-1-ium bromide hydrobromide

: C₄₄H₆₁N₄O₃⁽¹⁺⁾*C₂H₃O₂^(1-)

Guidance literature:: Multi-step reaction with 4 steps

1.1: N-ethyl-N,N-diisopropylamine / chloroform / 2 h / 20 °C

2.1: acetic acid; acetic anhydride; pyridine / 1.17 h / 110 °C

3.1: hydrogenchloride / ethyl acetate / 2 h / 20 °C

3.2: 1 h / 20 °C

4.1: HATU; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C

With pyridine; hydrogenchloride; acetic anhydride; acetic acid; N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; chloroform; ethyl acetate;
DOI:10.1039/c5cc01601k