5-Bromo-2,4-dimethylaniline

Base Information

• Chemical Name: 5-Bromo-2,4-dimethylaniline
• CAS No.: 69383-60-4
• Molecular Formula: C8H10 Br N
• Molecular Weight: 200.078
• Hs Code.: 2921430090
• NSC Number: 159240
• DSSTox Substance ID: DTXSID90303592
• Wikidata: Q82048952
• Mol file: 69383-60-4.mol

Synonyms:5-bromo-2,4-dimethylaniline;69383-60-4;5-bromo-2,4-dimethylphenylamine;5-Bromo-2,4-dimethyl-phenylamine;Benzenamine, 5-bromo-2,4-dimethyl-;MFCD09038481;NSC159240;Brc1cc(N)c(C)cc1C;SCHEMBL1199708;DTXSID90303592;AM1147;BBL100081;STL450364;AKOS005258987;NSC 159240;NSC-159240;PS-4743;SB38355;5-bromo-2,4-dimethylaniline, AldrichCPR;SY038701;CS-0153309;FT-0704557;EN300-140663;F12560;A836466;AE-562/43287118;Z1269122459;7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene9,9-dioxide

Chemical Property of 5-Bromo-2,4-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.00528mmHg at 25°C
• Boiling Point: 274.8°Cat760mmHg
• Flash Point: 120°C
• PSA: 26.02000
• Density: 1.424g/cm³
• LogP: 3.22930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2,4-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)Br)C

Technology Process of 5-Bromo-2,4-dimethylaniline

There total 7 articles about 5-Bromo-2,4-dimethylaniline 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: 80.0%

1-bromo-2,4-dimethyl-5-nitro-benzene (69383-59-1) → 5-bromo-2,4-dimethylaniline (69383-60-4)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 80 ℃; for 1h;

DOI:10.1021/acs.jmedchem.9b00329

Reference yield:

1-bromo-2,4-dimethyl-5-nitro-benzene (69383-59-1) + 2-bromo-1,3-dimethyl-4-nitrobenzene (60956-25-4) → 3-bromo-dimethylaniline (66314-77-0) + 5-bromo-2,4-dimethylaniline (69383-60-4)

Guidance literature:

1-bromo-2,4-dimethyl-5-nitro-benzene; 2-bromo-1,3-dimethyl-4-nitrobenzene; With triethylamine hydrochloride; zinc; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

With sodium hydroxide; In water; N,N-dimethyl-formamide;

Reference yield:

N-(2,4-dimethylphenyl)acetamide (2050-43-3) → 5-bromo-2,4-dimethylaniline (69383-60-4)

Guidance literature:

With water; bromine; ueber mehrere Stufen;

upstream raw materials:

5-nitro-2,4-dimethylaniline

N-(2,4-dimethylphenyl)acetamide

N-(2,4-dimethylphenyl)hydroxylamine

1-bromo-2,4-dimethyl-5-nitro-benzene

Downstream raw materials:

4-Amino-6-brom-1.3-dimethyl-benzol-2-sulfonsaeure

1-(5-ethyl-2,4-dimethylphenyl)thiourea

Refernces

• 1、 Yao, Xia,Sun, Xiuyun,Jin, Shuyu,Yang, Ling,Xu, Hongjiang,Rao, Yu. "Discovery of 4-Aminoquinoline-3-carboxamide derivatives as potent reversible Bruton's tyrosine kinase inhibitors for the treatment of rheumatoid arthritis". . p. 6561 - 6574. Retrieved 2019/08/20.
• 2、 -. "COMPOUNDS". Page/Page column 110. . Retrieved 2018/09/08.