4-Bromophenethylamine

Base Information

• Chemical Name: 4-Bromophenethylamine
• CAS No.: 73918-56-6
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 29214990
• European Community (EC) Number: 277-636-2
• DSSTox Substance ID: DTXSID20224524
• Nikkaji Number: J236.208B
• Wikidata: Q72449044
• ChEMBL ID: CHEMBL476516
• Mol file: 73918-56-6.mol

Synonyms:4-Bromophenethylamine;73918-56-6;2-(4-Bromophenyl)ethanamine;2-(4-bromophenyl)ethylamine;p-Bromophenethylamine;2-(4-Bromo-phenyl)-ethylamine;Benzeneethanamine, 4-bromo-;4-bromophenylethylamine;2-(4-bromophenyl)ethan-1-amine;4-bromobenzeneethanamine;MFCD00008189;CHEMBL476516;EINECS 277-636-2;p-Bromophenylethylamine;4-bromophenethyl amine;4-Bromo-phenethylamine;4-Bromophenethylamine, 98%;SCHEMBL101853;2-(4-bromophenyl)ethyl amine;[2-(4-Bromophenyl)ethyl]amine;2-(4-Bromophenyl)ethanamine #;ZSZCXAOQVBEPME-UHFFFAOYSA-;(2-(4-bromophenyl)ethyl]-amine;4-BROMO PHENYL ETHYLAMINE;DTXSID20224524;1-Amino-2-(4-bromophenyl)ethane;P-BROMO-A-METHYLBENZYLAMINE;AC-185;BDBM50262755;GEO-00542;AKOS000160150;AB00934;CS-W009109;AS-13458;SY004635;A9511;AM20060458;B3454;FT-0601012;EN300-77249;2-(4-bromophenyl)ethanamine;J-501369;J-650289;J-660040;Q-102402;Z285143750

Chemical Property of 4-Bromophenethylamine

Chemical Property:

• Appearance/Colour: Clear colourless to yellow liquid
• Vapor Pressure: 0.00649mmHg at 25°C
• Refractive Index: n20/D 1.574(lit.)
• Boiling Point: 271.3 °C at 760 mmHg
• PKA: 9.72±0.10(Predicted)
• Flash Point: 113.1 °C
• PSA: 26.02000
• Density: 1.407 g/cm³
• LogP: 2.65060
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

4-Bromophenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN)Br
• Uses: 4-Bromophenethylamine was used in the synthesis of pyrazinoisoquinoline derivatives and N-2-(4-bromophenyl)ethyl chloroacetamide. It was also used in the synthesis of alkyl arylamino sufides employing elemental sulfur and various halides.

Technology Process of 4-Bromophenethylamine

There total 17 articles about 4-Bromophenethylamine 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: 99.0%

C16H13BrF3N → 4-Bromophenethylamine (73918-56-6)

Guidance literature:

With water; acetic acid; In methanol; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1007/s11426-021-1048-4

Reference yield: 88.0%

[2-(4-bromo-phenyl)-ethyl]-carbamic acid 2,2,2-trichloro-ethyl ester → 4-Bromophenethylamine (73918-56-6)

Guidance literature:

With indium; ammonium chloride; In ethanol; for 3h; Heating;

DOI:10.1055/s-2002-31919

Reference yield: 85.0%

4-Bromophenylacetonitrile (16532-79-9) → 4-Bromophenethylamine (73918-56-6)

Guidance literature:

With sodium tetrahydroborate; {[κ³-(1-pz)2HB(N=CHCH3)]Ru(cymene)}⁺ TfO^-; sodium t-butanolate; In methanol; at 70 ℃; for 14h;

DOI:10.1039/c3cc47384h

upstream raw materials:

4-Bromophenylacetonitrile

Bis-(β-nitroso-4-brom-styrol)

(E)-1-bromo-4-(2-nitrovinyl)benzene

1-bromo-4-(2-nitroethyl)benzene

Downstream raw materials:

N-[2-(4-bromo-phenyl)-ethyl]-benzenesulfonamide

Refernces

• 1、 Shu, Xianli,Xu, Ruting,Liao, Saihu. "Photocatalytic divergent decarboxylative amination: a metal-free access to aliphatic amines and hydrazines". . p. 1756 - 1762. Retrieved 2021/09/06.
• 2、 -. "GPR40 receptor stimulant, and preparation method, pharmaceutical composition and application thereof". Paragraph 0163-0168; 0170. . Retrieved 2019/10/15.