2,6-Dibromo-4-isopropylaniline

Base Information

• Chemical Name: 2,6-Dibromo-4-isopropylaniline
• CAS No.: 10546-65-3
• Molecular Formula: C9H11Br2N
• Molecular Weight: 293.001
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID00147141
• Nikkaji Number: J410.626A
• Mol file: 10546-65-3.mol

Synonyms:2,6-Dibromo-4-isopropylaniline;10546-65-3;2,6-dibromo-4-propan-2-ylaniline;Benzenamine,2,6-dibromo-4-(1-methylethyl)-;Benzenamine, 2,6-dibromo-4-(1-methylethyl)-;MFCD00015475;2,6-Dibromocumidine;2,6-dibromo-4-(propan-2-yl)aniline;2,6-Dibromo-cumidine;SCHEMBL1091699;2,6-dibromo-4-iso-propylaniline;2,6-dibromo-4-isopropyl-aniline;DTXSID00147141;AKOS005255062;2,6-Dibromo-4-(1-methylethyl)aniline;AS-60362;CS-0195325;FT-0610548;A801248

Chemical Property of 2,6-Dibromo-4-isopropylaniline

Chemical Property:

• Appearance/Colour: crystal
• Vapor Pressure: 0.000595mmHg at 25°C
• Melting Point: 44 °C
• Refractive Index: 1.605
• Boiling Point: 310.6 °C at 760 mmHg
• PKA: 0.88±0.10(Predicted)
• Flash Point: 141.6 °C
• PSA: 26.02000
• Density: 1.682 g/cm³
• LogP: 4.49840
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 292.92378
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

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

2,6-Dibromo-4-isopropylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)Br)N)Br
• Uses: This compound is used in organic synthesis to add a 2,6-Dibromo-4-isopropylaniline group to the final product.

Technology Process of 2,6-Dibromo-4-isopropylaniline

There total 1 articles about 2,6-Dibromo-4-isopropylaniline 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: 76.0%

4-Isopropylaniline (99-88-7) → 2,6-dibromo-4-(1-methylethyl)benzenamine (10546-65-3)

Guidance literature:

With bromine; acetic acid; at 85 ℃; for 6h;

DOI:10.1016/j.ejmech.2016.12.006

Reference yield: 79.0%

2-chloro-4-thiomorpholino-6-methylpyrimidine + 2,6-dibromo-4-(1-methylethyl)benzenamine (10546-65-3) → N-(2,6-dibromo-4-(1-methylethyl)phenyl)-4-thiomorpholino-6-methyl-2-pyrimidinamine

Guidance literature:

With NaH; In toluene;

Reference yield: 77.0%

2,6-dibromo-4-(1-methylethyl)benzenamine (10546-65-3) + o-acetylamino-benzoic acid (89-52-1) → 3-(2,6-dibromo-4-iso-propylphenyl)-2-methylquinazolin-4(3H)-one

Guidance literature:

With phosphorus trichloride; In toluene; at 80 - 120 ℃; for 20h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02865

upstream raw materials:

4-Isopropylaniline

Downstream raw materials:

2-Amino-4,5-dimethyl-1-(2,6-dibromo-4-isopropylphenyl) pyrrole-3-carbonitrile

C₁₈H₁₅Br₂FN₂

(4R,5R)-8'-iodo-N⁴,N⁵-dimesityl-3',4'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-naphthalene]-4,5-dicarboxamide

1,3-dibromo-5-isopropylbenzene

Refernces

• 1、 Yu, Lei,Huang, Minhao,Xu, Tianfeng,Tong, Linjiang,Yan, Xiao-e,Zhang, Zhang,Xu, Yong,Yun, Caihong,Xie, Hua,Ding, Ke,Lu, Xiaoyun. "A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFRL858R/T790Mmutant with improved pharmacokinetic properties". supporting information. p. 1107 - 1117. Retrieved 2016/12/30.