4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid
• CAS No.: 904807-77-8
• Molecular Formula: C₁₄H₁₉NO₃
• Molecular Weight: 249.31
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30424255
• Wikidata: Q82236757
• Mol file: 904807-77-8.mol

Synonyms:904807-77-8;4-[(2-tert-butylphenyl)amino]-4-oxobutanoic acid;4-(2-tert-butylanilino)-4-oxobutanoic acid;4-((2-(tert-Butyl)phenyl)amino)-4-oxobutanoic acid;MFCD06067116;3-[(2-tert-butylphenyl)carbamoyl]propanoic Acid;SCHEMBL2963432;DTXSID30424255;OHADMZXCKCKARP-UHFFFAOYSA-N;CHEMBRDG-BB 9050501;BBL017738;STK478440;AKOS003315814;NCGC00336509-01;VS-06448;CS-0313812;FT-0683468;METHYL4,6-DIMETHOXY-2-INDOLECARBOXYLATE;4-(2-tert-butylphenylamino)-4-oxobutanoic acid;AB01329721-02;4-((2-(tert-Butyl)phenyl)amino)-4-oxobutanoicacid;4-[(2-TERT-BUTYLPHENYL)AMINO]-4-OXOBUTANOIC ACID 95%

Chemical Property of 4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 2.8E-09mmHg at 25°C
• Boiling Point: 460.6°C at 760 mmHg
• Flash Point: 232.3°C
• PSA: 66.40000
• Density: 1.149g/cm³
• LogP: 2.86040
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

4-[(2-tert-BButylphenyl)amino]-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CC=C1NC(=O)CCC(=O)O

Technology Process of 4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid

There total 1 articles about 4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic 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:

succinic acid anhydride (108-30-5) + 2-(1,1-dimethylethyl)-benzenamine (6310-21-0) → N-(2-tert-butyl-phenyl)-succinamic acid (904807-77-8)

Guidance literature:

In toluene; Heating;

DOI:10.1016/j.tet.2004.01.100

Reference yield:

N-(2-tert-butyl-phenyl)-succinamic acid (904807-77-8) → 1-(2-tert-butylphenyl)-5-propylpyrrolidin-2-one

Guidance literature:

Multi-step reaction with 5 steps

1: 1.43 g / sodium acetate; acetic anhydride / 70 - 80 °C

2: 92 percent / DIBAL / CH₂Cl₂ / 0.17 h / -78 °C

3: 25 percent / PPTS; copper sulphate / CH₂Cl₂ / 20 °C

4: 74 percent / trimethylsilyltrifluoromethanesulphonate / CH₂Cl₂ / 8 h / -40 °C

5: H₂ / Pd/C / acetonitrile

With copper(I) sulfate; trimethylsilyl trifluoromethanesulfonate; hydrogen; sodium acetate; pyridinium p-toluenesulfonate; acetic anhydride; diisobutylaluminium hydride; palladium on activated charcoal; In dichloromethane; acetonitrile;

DOI:10.1016/j.tet.2004.01.100

Reference yield:

N-(2-tert-butyl-phenyl)-succinamic acid (904807-77-8) → 1-(2-tert-butylphenyl)-5-hydroxypyrrolidin-2-one (271769-91-6,721446-69-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.43 g / sodium acetate; acetic anhydride / 70 - 80 °C

2: 92 percent / DIBAL / CH₂Cl₂ / 0.17 h / -78 °C

With sodium acetate; acetic anhydride; diisobutylaluminium hydride; In dichloromethane;

DOI:10.1016/j.tet.2004.01.100

upstream raw materials:

succinic acid anhydride

2-(1,1-dimethylethyl)-benzenamine

Downstream raw materials:

1-(2-tert-butylphenyl)-5-hydroxypyrrolidin-2-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 904807-77-8 CHEMBRDG-BB 9050501

Send

Send

Metric Ton KG G Pound L ML

Send

Send