4-METHYL-BETA-METHYL-BETA-NITROSTYRENE

Base Information

• Chemical Name: 4-METHYL-BETA-METHYL-BETA-NITROSTYRENE
• CAS No.: 52287-56-6
• Molecular Formula: C10H11 N O2
• Molecular Weight: 177.203
• Hs Code.: 2904209090
• Mol file: 52287-56-6.mol

Synonyms:Benzene,1-methyl-4-(2-nitro-1-propenyl)-, (E)-; Benzene, 1-methyl-4-[(1E)-2-nitro-1-propenyl]-(9CI)

Chemical Property of 4-METHYL-BETA-METHYL-BETA-NITROSTYRENE

Chemical Property:

• Vapor Pressure: 0.00563mmHg at 25°C
• Melting Point: 51-53oC
• Boiling Point: 282.7oC at 760 mmHg
• Flash Point: 123.9oC
• PSA: 45.82000
• Density: 1.112g/cm3
• LogP: 3.15570

Purity/Quality:

99%, ^*data from raw suppliers

4-Methylphenylnitropropene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-METHYL-BETA-METHYL-BETA-NITROSTYRENE

There total 9 articles about 4-METHYL-BETA-METHYL-BETA-NITROSTYRENE 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%

Nitroethane (79-24-3) + 4-methyl-benzaldehyde (104-87-0) → 1-(p-tolyl)-2-nitropropene (52287-56-6,29816-55-5)

Guidance literature:

With ammonium acetate; at 110 ℃; for 16h;

DOI:10.1002/anie.201610816

Reference yield: 86.0%

Nitroethane (79-24-3) + 4-methyl-benzaldehyde (104-87-0) → (E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzene (52287-56-6)

Guidance literature:

With piperidine; iron(III) chloride; In toluene; for 5h; Reflux;

DOI:10.1002/ejoc.201300172

Reference yield: 84.0%

Nitroethane (79-24-3) + 4-Methylbenzyl alcohol (589-18-4) → (E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzene (52287-56-6)

Guidance literature:

With but-2-enenitrile; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); piperdinium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; for 8h; Inert atmosphere; Reflux;

DOI:10.1002/adsc.200800338

upstream raw materials:

Nitroethane

4-methyl-benzaldehyde

Butyl-(2-nitro-1-p-tolyl-propyl)-amine

2-nitro-1-(p-tolyl)propan-1-ol

Downstream raw materials:

(1-Hydroxy-2,6-dimethyl-1H-indol-3-yl)-phosphonic acid diisopropyl ester

(1-Hydroxy-2,6-dimethyl-1H-indol-3-yl)-phenyl-phosphinic acid isopropyl ester

ethyl 4-methyl-3-(p-tolyl)-2-pyrrolecarboxylate

1,4-dimethyl-3-(D-manno-pentitol-1-yl)-5-(p-tolyl)pyrazole

Refernces

• 1、 Kim, Hun Young,Oh, Kyungsoo,Si, Tengda. "Substrate promiscuity of ortho-naphthoquinone catalyst: Catalytic aerobic amine oxidation protocols to deaminative cross-coupling and n-nitrosation". . p. 9216 - 9221. Retrieved 2019/10/08.
• 2、 Kallitsakis, Michael G.,Tancini, Peter D.,Dixit, Mudit,Mpourmpakis, Giannis,Lykakis, Ioannis N.. "Mechanistic Studies on the Michael Addition of Amines and Hydrazines to Nitrostyrenes: Nitroalkane Elimination via a Retro-aza-Henry-Type Process". supporting information. p. 1176 - 1184. Retrieved 2018/02/09.