2-Amino-5-isopropylbenzoic acid

Base Information

• Chemical Name: 2-Amino-5-isopropylbenzoic acid
• CAS No.: 68701-22-4
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 834-515-4
• DSSTox Substance ID: DTXSID20502632
• Wikidata: Q72438517
• Mol file: 68701-22-4.mol

Synonyms:2-Amino-5-isopropylbenzoic acid;68701-22-4;2-amino-5-(propan-2-yl)benzoic acid;2-amino-5-propan-2-ylbenzoic acid;5-isopropylanthranilic acid;MFCD02358894;Benzoic acid, 2-amino-5-(1-methylethyl)-;2-Amino-5-isopropylbenzoicacid;5-isopropyl-anthranilic acid;Oprea1_713631;SCHEMBL4272723;DTXSID20502632;QWNMKHLBVHTPFW-UHFFFAOYSA-N;AKOS009259846;SY174199;CS-0186544;FT-0752078;EN300-41628;D82369;2-amino-5-(propan-2-yl)benzoic acid, AldrichCPR;Z362758700

Chemical Property of 2-Amino-5-isopropylbenzoic acid

Chemical Property:

• Melting Point: 84-92℃
• Boiling Point: 328.6±35.0 °C(Predicted)
• PKA: 2.24±0.10(Predicted)
• PSA: 63.32000
• Density: 1.161±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 2.67160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98%,99% ^*data from raw suppliers

2-Amino-5-isopropylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-5-isopropylbenzoic acid

There total 9 articles about 2-Amino-5-isopropylbenzoic 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:

2-(acetylamino)-5-(1-methylethyl)benzoic acid (79069-38-8) → 2-amino-5-isopropylbenzoic acid (68701-22-4)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; water; at 60 ℃; for 72h;

Reference yield:

carbon monoxide (201230-82-2) + 2-bromo-4-isopropylaniline (51605-97-1) → 2-amino-5-isopropylbenzoic acid (68701-22-4)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; water; potassium acetate; palladium diacetate; In tetrahydrofuran; methanol; at 110 ℃; for 16h; under 22502.3 Torr; Autoclave; Inert atmosphere;

Reference yield:

4-isopropyl-isonitrosoacetanilide → 2-amino-5-isopropylbenzoic acid (68701-22-4)

Guidance literature:

With sulfuric acid; In sodium hydroxide;

upstream raw materials:

chloral hydrate

4-Isopropylaniline

N-(4-iso-propylphenyl)acetamide

2-(acetylamino)-5-(1-methylethyl)benzoic acid

Refernces

• 1、 -. "QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES". Paragraph 0131-0132; 0141-0143. . Retrieved 2014/03/25.
• 2、 -. "Sulfonamides having antiangiogenic and anticancer activity". Page 23. . Retrieved 2008/06/13.