4-Bromo-2-ethylaniline

Base Information

• Chemical Name: 4-Bromo-2-ethylaniline
• CAS No.: 45762-41-2
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID30384229
• Nikkaji Number: J578.823D
• Wikidata: Q72455376
• Mol file: 45762-41-2.mol

Synonyms:4-Bromo-2-ethylaniline;45762-41-2;2-Ethyl-4-bromoaniline;Benzenamine, 4-bromo-2-ethyl-;4-Bromo-2-ethyl-aniline;4-bromo-2-ethylbenzenamine;SCHEMBL382588;4-Bromo-2-ethylaniline, 96%;DTXSID30384229;AMY28142;CS-M2231;CK1159;MFCD00041434;AKOS002673925;SB77801;AS-18847;FT-0617763;EN300-103769;A872337

Chemical Property of 4-Bromo-2-ethylaniline

Chemical Property:

• Refractive Index: n20/D 1.597(lit.)
• Boiling Point: 110-112oC 2mm
• PKA: 3.66±0.10(Predicted)
• Flash Point: 114 °F
• PSA: 26.02000
• Density: 1.412
• LogP: 3.17490
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2-ethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)Br)N
• Uses: 4-Bromo-2-ethylaniline is used in the synthetic preparation of heteroaryl (arylamino)quinazoline derivatives, which exhibit in vitro antitumor activity.

Technology Process of 4-Bromo-2-ethylaniline

There total 4 articles about 4-Bromo-2-ethylaniline 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: 44.0%

ortho-ethylaniline (578-54-1) → 4-bromo-2-ethylaniline (45762-41-2)

Guidance literature:

With bromine; In chloroform; for 1h; Inert atmosphere;

DOI:10.1002/poc.2978

Reference yield:

N-(4-bromo-2-ethylphenyl)acetamide (51688-73-4) → 4-bromo-2-ethylaniline (45762-41-2)

Guidance literature:

With hydrogenchloride; In ethanol;

Reference yield:

2-acetamido-1-ethylbenzene (33098-65-6) → 4-bromo-2-ethylaniline (45762-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / acetic acid

2: aq. HCl / ethanol

With hydrogenchloride; bromine; In ethanol; acetic acid;

upstream raw materials:

N-(4-bromo-2-ethylphenyl)acetamide

2-acetamido-1-ethylbenzene

ortho-ethylaniline

Downstream raw materials:

1-Aethyl-2-amino-5-brom-4-nitro-benzol

4-Nitro-3-brom-ethylbenzol

N-(4-bromo-2-ethylphenyl)-2-(hydroxyimino)acetamide

1-(4-bromo-2-ethylphenyl)-4-(toluene-4-sulfonyl)piperazine

Refernces

• 1、 -. "Para-bromination of ortho-alkyl anilines". . . Retrieved 2008/06/13.