4-[(Cyclobutylcarbonyl)amino]benzoic acid

Base Information

• Chemical Name: 4-[(Cyclobutylcarbonyl)amino]benzoic acid
• CAS No.: 33582-66-0
• Molecular Formula: C12H13 N O3
• Molecular Weight: 219.24
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60401059
• Wikidata: Q82204119
• Mol file: 33582-66-0.mol

Synonyms:4-[(cyclobutylcarbonyl)amino]benzoic acid;33582-66-0;4-(cyclobutanecarbonylamino)benzoic Acid;4-cyclobutaneamidobenzoic acid;4-(Cyclobutanecarboxamido)benzoic acid;SCHEMBL11729220;DTXSID60401059;AQMTZERUYDGUNO-UHFFFAOYSA-N;MFCD03236638;AKOS000132897;4-Cyclobutanecarbonylamino-benzoic acid;VS-06474;CS-0314886;EN300-998845;F78084;Z85880406

Chemical Property of 4-[(Cyclobutylcarbonyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 4.89E-10mmHg at 25°C
• Refractive Index: 1.65
• Boiling Point: 480.4°C at 760 mmHg
• Flash Point: 244.3°C
• PSA: 66.40000
• Density: 1.352g/cm³
• LogP: 2.19640
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

98%min ^*data from raw suppliers

4-[(cyclobutylcarbonyl)amino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C(=O)NC2=CC=C(C=C2)C(=O)O

Technology Process of 4-[(Cyclobutylcarbonyl)amino]benzoic acid

There total 3 articles about 4-[(Cyclobutylcarbonyl)amino]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:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + Cyclobutanecarbonyl chloride (5006-22-4) → 4-(cyclobutanecarbonylamino)benzoic acid (33582-66-0)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; Inert atmosphere;

Reference yield:

4-methoxycarbonyl aniline (619-45-4) → 4-(cyclobutanecarbonylamino)benzoic acid (33582-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.08 h

1.2: 0.5 h / 0 °C

1.3: 16 h / 20 °C

2.1: sodium hydroxide / water monomer; ethanol / 16 h / 80 °C

With triethylamine; sodium hydroxide; In ethanol; dichloromethane; water monomer;

Reference yield:

Cyclobutanecarboxylic acid (3721-95-7) → 4-(cyclobutanecarbonylamino)benzoic acid (33582-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.08 h

1.2: 0.5 h / 0 °C

1.3: 16 h / 20 °C

2.1: sodium hydroxide / water monomer; ethanol / 16 h / 80 °C

With triethylamine; sodium hydroxide; In ethanol; dichloromethane; water monomer;

upstream raw materials:

4-amino-benzoic acid

Cyclobutanecarbonyl chloride

Cyclobutanecarboxylic acid

4-methoxycarbonyl aniline

Refernces

• 1、 -. "Thermoplastic polymer composition". Page/Page column 42. . Retrieved 2015/12/17.