4-(Ethylamino)benzoic acid

Base Information

• Chemical Name: 4-(Ethylamino)benzoic acid
• CAS No.: 7409-09-8
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 630-131-4
• DSSTox Substance ID: DTXSID50379475
• Nikkaji Number: J81.390G
• Wikidata: Q82169306
• ChEMBL ID: CHEMBL253341
• Mol file: 7409-09-8.mol

Synonyms:4-(ethylamino)benzoic acid;7409-09-8;Benzoic acid, p-(ethylamino)-;Benzoic acid,4-(ethylamino)-;4-ethylaminobenzoic acid;Maybridge1_002225;p-Athylaminobenzoesaure;Oprea1_060055;SCHEMBL455156;CHEMBL253341;HMS547N03;DTXSID50379475;SWXFMMWYVSYQGF-UHFFFAOYSA-N;CCG-54590;CK2248;MFCD00102118;AKOS009157611;PS-4200;4-(ethylamino)benzoic acid, AldrichCPR;FT-0692343;EN300-153193;J-513730;SR-01000643679-1;W-204308;Z381340222

Chemical Property of 4-(Ethylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 6.47E-05mmHg at 25°C
• Melting Point: 175 °C
• Refractive Index: 1.603
• Boiling Point: 330.9 °C at 760 mmHg
• PKA: 4.81±0.10(Predicted)
• Flash Point: 153.9 °C
• PSA: 49.33000
• Density: 1.197 g/cm³
• LogP: 1.88960
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Ethylamino)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(Ethylamino)benzoic acid

There total 13 articles about 4-(Ethylamino)benzoic 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: 94.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + acetonitrile (75-05-8,26809-02-9) → 4-(ethylamino)benzoic acid (7409-09-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 10h;

DOI:10.1021/ol047871o

Reference yield: 90.0%

4-(ethylamino)benzonitrile (4714-63-0) → 4-(ethylamino)benzoic acid (7409-09-8)

Guidance literature:

With hydrogenchloride; In water; Reflux;

Reference yield: 84.0%

acetonitrile (75-05-8,26809-02-9) + 4-nitro-benzoic acid (62-23-7) → 4-(ethylamino)benzoic acid (7409-09-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 27h; under 760.051 Torr;

DOI:10.1039/c1ob06303k

upstream raw materials:

2,4,6-trimethyl-[1,3,5]triazinane

4-nitro-benzoic acid

4-iodobenzoic acid

ethylamine

Downstream raw materials:

4-ethylamino-benzoic acid-(2-butylamino-ethyl ester)

4-ethylamino-benzoic acid-(2-isobutylamino-ethyl ester)

4-ethylamino-benzoic acid anilide

4-ethylamino-benzoic acid-(2-ethylamino-ethyl ester)