3-Ethyl-4-nitrobenzoic acid

Base Information

Chemical Name:3-Ethyl-4-nitrobenzoic acid
CAS No.:702642-79-3
Molecular Formula:C9H9 N O4
Molecular Weight:195.17206
Hs Code.:
European Community (EC) Number:688-132-0
Mol file:702642-79-3.mol

Synonyms:3-ethyl-4-nitrobenzoic acid;702642-79-3;SCHEMBL1609806;GCBJQRVOUOGOKE-UHFFFAOYSA-N;BENZOIC ACID, 3-ETHYL-4-NITRO-;DB-285644

Suppliers and Price of 3-Ethyl-4-nitrobenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-Ethyl-4-nitrobenzoic acid

Chemical Property:

PSA：83.12000
LogP:2.37860
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:195.05315777
Heavy Atom Count:14
Complexity:236

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

Technology Process of 3-Ethyl-4-nitrobenzoic acid

There total 2 articles about 3-Ethyl-4-nitrobenzoic acid 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: 44.0%

: 702642-77-1
3-ethyl-4-nitrobenzonitrile

: 702642-79-3
3-ethyl-4-nitrobenzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; for 2.5h; Heating;
DOI:10.1002/hlca.200490060

Reference yield:

: 51279-01-7
3-acetylamino-1-ethylbenzene

: 702642-79-3
3-ethyl-4-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: H₂SO₄; HNO₃ / 1.25 h / -20 - -10 °C

1.2: 54 percent / NaOH; water

2.1: HCl; NaNO₂ / H₂O / 0.17 h / 0 °C

2.2: 34 percent / NaCN / H₂O / 0 - 50 °C

3.1: 44 percent / KOH / H₂O; ethanol / 2.5 h / Heating

With hydrogenchloride; potassium hydroxide; sulfuric acid; nitric acid; sodium nitrite; In ethanol; water; 2.1: Sandmeyer reaction;
DOI:10.1002/hlca.200490060

Reference yield: 72.0%

: 75-65-0
tert-butyl alcohol

: 702642-79-3
3-ethyl-4-nitrobenzoic acid

: 702642-81-7
tert-butyl 3-ethyl-4-nitrobenzoate

Guidance literature:: With 4-pyrrolidin-1-ylpyridine; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1002/hlca.200490060