2-(4-Bromophenyl)-2-methylpropanenitrile

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-methylpropanenitrile
• CAS No.: 101184-73-0
• Molecular Formula: C10H10BrN
• Molecular Weight: 224.1
• Hs Code.: 2926909090
• European Community (EC) Number: 802-537-3
• DSSTox Substance ID: DTXSID90440012
• Wikidata: Q72511025
• Mol file: 101184-73-0.mol

Synonyms:2-(4-Bromophenyl)-2-methylpropanenitrile;101184-73-0;2-(4-Bromophenyl)-2-methylpropionitrile;2-(4-bromo-phenyl)-2-methyl-propionitrile;MFCD02684219;Benzeneacetonitrile, 4-bromo-alpha,alpha-dimethyl-;2-(4-Bromophenyl)-2-Methyl propionitrile;4-bromophenylisobutyronitrile;SCHEMBL13578;DTXSID90440012;DABJLFKRJWUXMV-UHFFFAOYSA-N;AMY13387;AKOS009358274;AC-5231;CS-W002969;PS-7794;2-(4-Bromophenyl)-2-methylpropanitrile;2-Methyl-2-(4-bromophenyl)propionitrile;SY007396;1-bromo-4-(1-cyano-1-methylethyl)benzene;(4-bromo-phenyl)-2,2-dimethyl-acetonitrile;B5950;FT-0658962;EN300-40981;A800346;2-(4-Bromophenyl)-2-methylpropanenitrile, AldrichCPR;Z415650942

Chemical Property of 2-(4-Bromophenyl)-2-methylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Melting Point: 110-113 °C
• Refractive Index: 1.543
• Boiling Point: 299.8 °C at 760 mmHg
• Flash Point: 135.1 °C
• PSA: 23.79000
• Density: 1.352g/cm³
• LogP: 3.25028
• Storage Temp.: Keep Cold
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.99966
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

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

2-(4-Bromophenyl)-2-methylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)C1=CC=C(C=C1)Br

Technology Process of 2-(4-Bromophenyl)-2-methylpropanenitrile

There total 5 articles about 2-(4-Bromophenyl)-2-methylpropanenitrile 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: 100.0%

4-Bromophenylacetonitrile (16532-79-9) + methyl iodide (74-88-4) → 2-(4-bromophenyl)-2-methylpropanenitrile (101184-73-0)

Guidance literature:

4-Bromophenylacetonitrile; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02460

Reference yield: 96.0%

methyl iodide (74-88-4) → 2-(4-bromophenyl)-2-methylpropanenitrile (101184-73-0)

Guidance literature:

4-Bromophenylacetonitrile; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃;

methyl iodide; In N,N-dimethyl-formamide; at 0 - 10 ℃; for 1h;

Reference yield: 87.0%

→ 2-(4-bromophenyl)-2-methylpropanenitrile (101184-73-0)

Guidance literature:

upstream raw materials:

4-Bromophenylacetonitrile

methyl iodide

tert-butylisonitrile

4-iso-propylbromobenzene

Downstream raw materials:

2-(4-bromophenyl)-2-methyl-propionaldehyde

2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionitrile

4-(1-aminocarbonyl-1-methylethyl)-1-bromobenzene

2-(4-bromophenyl)-2-methylpropan-1-amine

Refernces

• 1、 Grimaud, Laurence,Guillot, Régis,Tang, Shanyu,Vincent, Guillaume,Vitale, Maxime R.. "Electrochemical Benzylic C-H Functionalization with Isocyanides". supporting information. p. 2125 - 2130. Retrieved 2022/04/07.
• 2、 -. "Protein arginine methyltransferase 5 (PRMT5) inhibitor, pharmaceutical products thereof, and methods thereof". Paragraph 0120-0124. . Retrieved 2020/11/05.