2-Phenylbutyric acid anhydride

Base Information

• Chemical Name: 2-Phenylbutyric acid anhydride
• CAS No.: 1519-21-7
• Molecular Formula: C20H22 O3
• Molecular Weight: 310.393
• Hs Code.: 2916399090
• European Community (EC) Number: 216-180-0
• DSSTox Substance ID: DTXSID10934362
• Nikkaji Number: J206.729C
• Mol file: 1519-21-7.mol

Synonyms:2-Phenylbutyric acid anhydride;1519-21-7;2-phenylbutanoic anhydride;2-Phenylbutyric anhydride;2-phenylbutanoyl 2-phenylbutanoate;EINECS 216-180-0;phenylbutyric anhydride;2-phenylbutanoicanhydride;SCHEMBL2222145;DTXSID10934362;Bis(alpha-ethylbenzeneacetic)anhydride;FT-0738759;Benzeneacetic acid, .alpha.-ethyl-, anhydride;A909865;J-008865;2-Phenylbutyric acid anhydride, purum, >=98.0% (NT)

Chemical Property of 2-Phenylbutyric acid anhydride

Chemical Property:

• Vapor Pressure: 2.89E-07mmHg at 25°C
• Refractive Index: n20/D 1.531
• Boiling Point: 420.1°Cat760mmHg
• Flash Point: 191.1°C
• PSA: 43.37000
• Density: 1.092g/cm³
• LogP: 4.44380
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 310.15689456
• Heavy Atom Count: 23
• Complexity: 342

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenylbutyric acid anhydride purum, ≥98.0% (NT) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)C(=O)OC(=O)C(CC)C2=CC=CC=C2

Technology Process of 2-Phenylbutyric acid anhydride

There total 8 articles about 2-Phenylbutyric acid anhydride 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: 90.0%

2-Phenylbutyric acid (90-27-7) → 2-phenylbutyric anhydride (1519-21-7)

Guidance literature:

With N-methyl-2-methylpyridinium iodide; triethylamine; In toluene; for 24h; Ambient temperature;

DOI:10.1016/0957-4166(92)80022-O

Reference yield: 80.0%

2-Phenylbutyryl chloride (36854-57-6) → 2-phenylbutyric anhydride (1519-21-7)

Guidance literature:

With sodium hydroxide; tetrabutyl-ammonium chloride; In toluene; at -10 ℃; for 3h;

DOI:10.1016/S0040-4020(01)81698-7

Reference yield:

2-Phenylbutyryl chloride (36854-57-6) + sodium phenyl butyrate (2686-71-7) → 2-phenylbutyric anhydride (1519-21-7)

Guidance literature:

DOI:10.1002/1522-2675(20010613)84:6<1405::AID-HLCA1405>3.0.CO;2-G

upstream raw materials:

2-Phenylbutyryl chloride

2-Phenylbutyric acid

sodium phenyl butyrate

(+) α-phenylbutyric acid

Downstream raw materials:

phenylethylketene

2-Phenylbutyric acid

(+)-α-phenylbutyric anhydride

(R)-di(naphthalen-1-yl)methyl 2-phenylbutanoate

Refernces

• 1、 Rappoport, Zvi,Lei, Yi Xiong,Yamataka, Hiroshi. "Observable enols of anhydrides: Claimed literature systems, calculations, and predictions". . p. 1405 - 1431. Retrieved 2001.
• 2、 Coulbeck, Elliot,Eames, Jason. "A method for determining the enantiomeric purity of profens". body text. p. 635 - 640. Retrieved 2009/08/15.
• 3、 Lee, Sang Mi,Li, Xi Feng,Jiang, Hualiang,Cheng, Jia Gao,Seong, Seeyearl,Choi, Hong Dae,Son, Byeng Wha. "Terreusinone, a novel UV-A protecting dipyrroloquinone from the marine algicolous fungus Aspergillus terreus". . p. 7707 - 7710. Retrieved 2007/10/03.