4-Isopropyl-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Isopropyl-3-nitrobenzaldehyde
• CAS No.: 130766-91-5
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20363987
• Wikidata: Q82147749
• Mol file: 130766-91-5.mol

Synonyms:130766-91-5;4-ISOPROPYL-3-NITROBENZALDEHYDE;4-Isopropyl-3-nitro-benzaldehyde;3-nitro-4-(propan-2-yl)benzaldehyde;3-nitro-4-propan-2-ylbenzaldehyde;DTXSID20363987;MFCD03820045;STK734668;AKOS000116480;CS-0220017;EN300-05562;ETHYL5-[(ACETYLOXY)METHYL]-2-FUROATE;Z56921097

Chemical Property of 4-Isopropyl-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000153mmHg at 25°C
• Boiling Point: 331.7°Cat760mmHg
• Flash Point: 157.4°C
• PSA: 62.89000
• Density: 1.185g/cm³
• LogP: 3.05390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

4-Isopropyl-3-nitro-benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=C(C=C1)C=O)[N+](=O)[O-]

Technology Process of 4-Isopropyl-3-nitrobenzaldehyde

There total 5 articles about 4-Isopropyl-3-nitrobenzaldehyde 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:

(4-isopropylbenzaldehyde) (122-03-2) → 3-nitro-4-(1-methylethyl)benzaldehyde (130766-91-5)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

ethyl-(4-isopropyl-benzyl)-ether → 3-nitro-4-(1-methylethyl)benzaldehyde (130766-91-5)

Guidance literature:

With nitric acid;

Reference yield:

4-isopropylbenzyl chloride (2051-18-5) → 3-nitro-4-(1-methylethyl)benzaldehyde (130766-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: alcoholic KOH-solution

2: fuming nitric acid

With potassium hydroxide; nitric acid;

upstream raw materials:

(4-isopropylbenzaldehyde)

sulfuric acid

nitric acid

4-isopropylbenzyl chloride

Downstream raw materials:

4-isopropenyl-3-nitro-benzoic acid

4-isopropyl-3-nitro-trans-cinnamic acid ethyl ester

ethyl (Z)-3-<2-(1-methylethyl)-5-(hydroxymethyl)phenylamino>-butenoate

3-amino-4-(1-methylethyl)benzenemethanol