Anthranilic acid, 4-tert-butyl- (5CI)

Base Information

• Chemical Name: Anthranilic acid, 4-tert-butyl- (5CI)
• CAS No.: 728945-64-0
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• Mol file: 728945-64-0.mol

Synonyms:Anthranilicacid, 4-tert-butyl- (5CI);2-Amino-4-tert-butylbenzoic acid;

Chemical Property of Anthranilic acid, 4-tert-butyl- (5CI)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 167-168 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Refractive Index: 1.567
• Boiling Point: 328.259 °C at 760 mmHg
• PKA: 5.14±0.10(Predicted)
• Flash Point: 152.326 °C
• PSA: 63.32000
• Density: 1.131 g/cm³
• LogP: 2.84570
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

98.5% ^*data from raw suppliers

2-Amino-4-tert-butylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Anthranilic acid, 4-tert-butyl- (5CI)

There total 5 articles about Anthranilic acid, 4-tert-butyl- (5CI) 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: 80.0%

4-(tert-butyl)-2-nitrobenzoic acid (103797-19-9) → 2-amino-4-(tert-butyl)benzoic acid (728945-64-0)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In ethanol; at 20 ℃;

Reference yield:

4-tert-butyltoluene (98-51-1) → 2-amino-4-(tert-butyl)benzoic acid (728945-64-0)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃+H₂SO₄ / 5 - 10 °C

2: permanganate; aqueous pyridine

3: iron (II)-sulfate; diluted ammonia

With pyridine; ammonium hydroxide; sulfuric acid; nitric acid; permanganate(VII) ion; iron(II) sulfate;

Reference yield:

4-tert-butyl-2-nitrotoluene (62559-08-4) → 2-amino-4-(tert-butyl)benzoic acid (728945-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: permanganate; aqueous pyridine

2: iron (II)-sulfate; diluted ammonia

With pyridine; ammonium hydroxide; permanganate(VII) ion; iron(II) sulfate;

upstream raw materials:

4-(tert-butyl)-2-nitrobenzoic acid

4-tert-butyltoluene

4-tert-butyl-2-nitrotoluene

(4-tert-butyl-2-nitrophenylethynyl)trimethylsilane

Downstream raw materials:

C₁₆H₂₃NO₃

C₃₆H₄₀N₈O₂

7-tert-butyl-3-[2-methyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]-3H-quinazolin-4-one

C₅₈H₄₀

Refernces

• 1、 Lou, Yan,Han, Xiaochun,Kuglstatter, Andreas,Kondru, Rama K.,Sweeney, Zachary K.,Soth, Michael,McIntosh, Joel,Litman, Renee,Suh, Judy,Kocer, Buelent,Davis, Dana,Park, Jaehyeon,Frauchiger, Sandra,Dewdney, Nolan,Zecic, Hasim,Taygerly, Joshua P.,Sarma, Keshab,Hong, Junbae,Hill, Ronald J.,Gabriel, Tobias,Goldstein, David M.,Owens, Timothy D.. "Structure-based drug design of RN486, a potent and selective Bruton's tyrosine kinase (BTK) inhibitor, for the treatment of rheumatoid arthritis". supporting information. p. 512 - 516. Retrieved 2015/03/03.
• 2、 -. "AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE". Page/Page column 201. . Retrieved 2009/01/23.