3-Bromo-4-methoxyphenethylamine

Base Information

• Chemical Name: 3-Bromo-4-methoxyphenethylamine
• CAS No.: 159465-27-7
• Molecular Formula: C9H12BrNO
• Molecular Weight: 230.104
• Hs Code.: 2922299090
• European Community (EC) Number: 623-698-4
• DSSTox Substance ID: DTXSID40370810
• Nikkaji Number: J2.538.922K
• Wikidata: Q82157968
• Mol file: 159465-27-7.mol

Synonyms:3-Bromo-4-methoxyphenethylamine;159465-27-7;2-(3-bromo-4-methoxyphenyl)ethanamine;2-(3-bromo-4-methoxyphenyl)ethylamine;Benzeneethanamine, 3-bromo-4-methoxy-;2-(3-bromo-4-methoxyphenyl)ethan-1-amine;SCHEMBL855453;3-bromo-4-methoxyphenethyl amine;DTXSID40370810;JHVALSRTUOVNLL-UHFFFAOYSA-N;3-bromo-4-methoxy-phenethyl amine;MFCD00153891;AKOS009158648;3-Bromo-4-methoxyphenethylamine, 97%;FS-4757;2-(3-Bromo-4-methoxyphenyl)ethaneamine;2-(3-bromo-4-methoxyphenyl)-ethylamine;2-(3-bromo-4-methoxy-phenyl)-ethylamine;FT-0676148;EN300-762925;F70041;J-009609

Chemical Property of 3-Bromo-4-methoxyphenethylamine

Chemical Property:

• Vapor Pressure: 0.00092mmHg at 25°C
• Refractive Index: n20/D >1.5800(lit.)
• Boiling Point: 303.6 °C at 760 mmHg
• PKA: 9.69±0.10(Predicted)
• Flash Point: 137.4 °C
• PSA: 35.25000
• Density: 1.385 g/cm³
• LogP: 2.65920
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 229.01023
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-4-methoxyphenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN)Br
• Uses: 3-Bromo-4-methoxyphenethylamine (3-Bromo-4-methoxy-β-phenethylamine) may be used as a starting reagent in the synthesis of 3-bromo-4-methoxy-5-nitro-β-phenethylamine. It may also be used to synthesize 4-bromo-N-(3-bromo-4-methoxyphenethyl)-1H-pyrrole-2-carboxamide.

Technology Process of 3-Bromo-4-methoxyphenethylamine

There total 7 articles about 3-Bromo-4-methoxyphenethylamine 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: 90.0%

(3-bromo-4-methoxyphenyl)-acetonitrile (772-59-8) → 3-Bromo-4-methoxyphenethylamine (159465-27-7)

Guidance literature:

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jm00021a018

Reference yield: 84.0%

N-benzoyl-3-bromo-4-methoxyphenethylamine (159465-28-8) → 3-Bromo-4-methoxyphenethylamine (159465-27-7)

Guidance literature:

With hydrogenchloride; acetic acid; for 48h; Heating;

DOI:10.1021/jo980860m

Reference yield: 65.0%

4-Methoxyphenethylamine (55-81-2) → 3-Bromo-4-methoxyphenethylamine (159465-27-7)

Guidance literature:

With bromine; In acetic acid; for 48h; Ambient temperature;

DOI:10.1021/jm00051a008

upstream raw materials:

N-[2-(3-Bromo-4-methoxy-phenyl)-ethyl]-3-[3,5-dibromo-4-(3-bromo-5-{2-[2-(3-bromo-4-methoxy-phenyl)-ethylcarbamoyl]-2-[(E)-methoxyimino]-ethyl}-2-methoxy-phenoxy)-phenyl]-2-[(Z)-methoxyimino]-propionamide

3-[3-Bromo-5-(2-bromo-4-{2-[2-(3-bromo-4-methoxy-phenyl)-ethylcarbamoyl]-2-[(Z)-methoxyimino]-ethyl}-phenoxy)-4-methoxy-phenyl]-N-[2-(3-bromo-4-methoxy-phenyl)-ethyl]-2-[(E)-methoxyimino]-propionamide

4-Methoxyphenethylamine

(3-bromo-4-methoxyphenyl)-acetonitrile

Downstream raw materials:

N-[2-(3-bromo-4-methoxy-phenyl)-ethyl]-formamide

methyl (3-bromo-4-methoxyphenethyl)carbamate

(R)-7-methoxy-6-(4-(2-(2-methylpyrrolidin-1-yl)ethyl)phenyl)-3,4-dihydroisoquinolin-1(2H)-one hydrochloride

(R)-1-(7-methoxy-6-(4-(2-(2-methylpyrrolidin-1-yl)ethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone trifluoroacetate

Refernces

• 1、 -. "TETRAHYDROISOQUINOLINE COMPOUNDS". Page/Page column 27. . Retrieved 2019/08/20.
• 2、 -. "Substituted pyrido [2,1-a] isoquinoline derivatives". Page/Page column 20. . Retrieved 2010/11/08.