4-Bromo-N-isopropylaniline

Base Information

• Chemical Name: 4-Bromo-N-isopropylaniline
• CAS No.: 121086-19-9
• Molecular Formula: C9H12BrN
• Molecular Weight: 214.105
• Hs Code.: 2921420090
• European Community (EC) Number: 696-426-5
• DSSTox Substance ID: DTXSID70440752
• Wikidata: Q72445864
• Mol file: 121086-19-9.mol

Synonyms:4-BROMO-N-ISOPROPYLANILINE;121086-19-9;4-bromo-N-propan-2-ylaniline;(4-bromophenyl)isopropylamine;N-Isopropyl-4-bromoaniline;SCHEMBL1455728;DTXSID70440752;4-bromo-N-(propan-2-yl)aniline;GCAYZUSDLCJJAW-UHFFFAOYSA-N;1-bromo-4-(isopropylamino)-benzene;MFCD08691756;(4-BROMOPHENYL)ISOPROPYLAMINE;AKOS000240652;s11834;BS-14953;CS-0154187;EN300-164196;A891959;4-Bromo-N-(propan-2-yl)aniline;(4-Bromophenyl)isopropylamine

Chemical Property of 4-Bromo-N-isopropylaniline

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 266.236 °C at 760 mmHg
• PKA: 5.00±0.32(Predicted)
• Flash Point: 114.816 °C
• PSA: 12.03000
• Density: 1.351 g/cm³
• LogP: 3.34240
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.01531
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

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

4-Bromo-N-isopropylaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=CC=C(C=C1)Br

Technology Process of 4-Bromo-N-isopropylaniline

There total 8 articles about 4-Bromo-N-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: 78.0%

acetone (67-64-1) + 4-bromo-aniline (106-40-1) → (4-bromophenyl)isopropylamine (121086-19-9)

Guidance literature:

acetone; 4-bromo-aniline; With titanium(IV) isopropylate; In ethanol; at 20 ℃; for 12h;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h;

DOI:10.1021/jm9900974

Reference yield: 62.0%

diisopropylamine (108-18-9) + 4-bromo-aniline (106-40-1) → (4-bromophenyl)isopropylamine (121086-19-9)

Guidance literature:

With chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); potassium carbonate; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201501109

Reference yield: 62.0%

isopropylboronic acid (80041-89-0) + para-nitrophenyl bromide (586-78-7) → (4-bromophenyl)isopropylamine (121086-19-9)

Guidance literature:

para-nitrophenyl bromide; With [2,2]bipyridinyl; [MoO₂Cl₂(dmf)₂]; In toluene; for 0.0333333h;

isopropylboronic acid; With triphenylphosphine; In toluene; at 100 ℃; for 20h;

DOI:10.1002/anie.201812806

upstream raw materials:

N-(4-bromophenyl)-4-methylbenzenesulfonamide

isopropyl alcohol

acetone

4-bromo-aniline

Downstream raw materials:

4-(N-isopropyl-N-methylamino)phenyl bromide

4-(N-isopropyl-N-trimethylsilylamino)phenyl bromide

1-(4-(isopropylamino)phenyl)piperidin-2-one

C₂₄H₂₉N₃O₂

Refernces

• 1、 Sharma, Rakesh Kumar,Dutta, Sriparna,Sharma, Shivani. "Nickel(II) complex covalently anchored on core shell structured SiO2@Fe3O4 nanoparticles: A robust and magnetically retrievable catalyst for direct one-pot reductive amination of ketones". . p. 2089 - 2101. Retrieved 2016/03/19.
• 2、 Liu, Jie,Liu, Qin,Yang, Xue,Xu, Shengtao,Zhang, Hengyuan,Bai, Renren,Yao, Hequan,Jiang, Jieyun,Shen, Mingqin,Wu, Xiaoming,Xu, Jinyi. "Design, synthesis, and biological evaluation of 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives as potential antihypertensive candidates". . p. 7742 - 7751. Retrieved 2014/01/06.