4-(Butylamino)-3-nitrobenzoic acid

Base Information

Chemical Name:4-(Butylamino)-3-nitrobenzoic acid
CAS No.:120321-65-5
Molecular Formula:C11H14 N2 O4
Molecular Weight:238.243
Hs Code.:2922499990
DSSTox Substance ID:DTXSID10385259
Nikkaji Number:J926.139G
Wikidata:Q82177928
ChEMBL ID:CHEMBL236219
Mol file:120321-65-5.mol

Synonyms:4-(butylamino)-3-nitrobenzoic acid;120321-65-5;4-butylamino-3-nitro-benzoic Acid;4-butylamino-3-nitrobenzoic acid;CHEMBL236219;SCHEMBL6044176;DTXSID10385259;PATRMRVHZVOHEB-UHFFFAOYSA-N;4-(butylamino)-3-nitrobenzoicacid;3-Nitro-4-(butylamino)benzoic acid;AKOS000214369;AKOS015965481;BS-4466;SB80865;CS-0297699;FT-0681504;EN300-1191734;SR-01000575353;A1-41715;SR-01000575353-1;Z56760421

Suppliers and Price of 4-(Butylamino)-3-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
Packaging
price

Matrix Scientific
4-(Butylamino)-3-nitrobenzoic acid
500mg
$ 237.00

Matrix Scientific
4-(Butylamino)-3-nitrobenzoic acid
2.5g
$ 720.00

Crysdot
4-(Butylamino)-3-nitrobenzoicacid 95+%
5g
$ 856.00

American Custom Chemicals Corporation
4-(BUTYLAMINO)-3-NITROBENZOIC ACID 95.00%
2.5G
$ 1468.50

American Custom Chemicals Corporation
4-(BUTYLAMINO)-3-NITROBENZOIC ACID 95.00%
500MG
$ 837.38

Alichem
4-(Butylamino)-3-nitrobenzoicacid
1g
$ 400.00

AK Scientific
4-(Butylamino)-3-nitrobenzoicacid
2.5g
$ 1022.00

Total 4 raw suppliers

Chemical Property of 4-(Butylamino)-3-nitrobenzoic acid

Chemical Property:

PSA：95.15000
LogP:3.10120
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:238.09535693
Heavy Atom Count:17
Complexity:277

Purity/Quality:

98%min ^*data from raw suppliers

4-(Butylamino)-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Technology Process of 4-(Butylamino)-3-nitrobenzoic acid

There total 2 articles about 4-(Butylamino)-3-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: 70.0%

: 453-71-4
3-nitro-4-fluorobenzoic acid

: 109-73-9,85404-21-3
N-butylamine

: 120321-65-5
4-(butylamino)-3-nitrobenzoic acid

Guidance literature:: With sodium hydrogencarbonate; In water; at 150 ℃; for 3h;
DOI:10.1016/j.bmcl.2011.08.092

Reference yield:

: 109-73-9,85404-21-3
N-butylamine

: 96-99-1
4-chloro-3-nitrobenzoate

: 120321-65-5
4-(butylamino)-3-nitrobenzoic acid

Guidance literature:

Reference yield: 92.0%

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 120321-65-5
4-(butylamino)-3-nitrobenzoic acid

: 1344028-66-5
2-(dimethylamino)ethyl 4-(butylamino)-3-nitrobenzoate

Guidance literature:: 4-(butylamino)-3-nitrobenzoic acid; With 1,1'-carbonyldiimidazole; In 1,2-dimethoxyethane; at 60 ℃; for 2h; Inert atmosphere;

2-(N,N-dimethylamino)ethanol; With sodium hydride; In 1,2-dimethoxyethane; at 20 - 60 ℃; Inert atmosphere;