2-Methyl-2-phenylbutanoic acid

Base Information

• Chemical Name: 2-Methyl-2-phenylbutanoic acid
• CAS No.: 51018-80-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• NSC Number: 133936
• DSSTox Substance ID: DTXSID101295621
• Nikkaji Number: J77.606H
• Wikidata: Q105111636
• Mol file: 51018-80-5.mol

Synonyms:2-methyl-2-phenylbutanoic acid;51018-80-5;BUTYRIC ACID, 2-METHYL-2-PHENYL-;828-41-1;2-Methyl-2-phenylbutyric acid;NSC 133936;2-methyl-2-phenylbutanoicacid;2-methyl-2-phenyl-butyric acid;Benzeneacetic acid, alpha-ethyl-alpha-methyl-, (+/-)-;NSC133936;methylphenylbutyric acid;SCHEMBL1492728;DTXSID101295621;BCA01880;MFCD00267946;AKOS012033192;NSC-133936;alpha-Ethyl-alpha-methylbenzeneacetic acid;LS-48115;NS-01530;Benzeneacetic acid, -ethyl--methyl-, ()-;CS-0012561;EN300-748912

Chemical Property of 2-Methyl-2-phenylbutanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-2-phenylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Methyl-2-phenylbutanoic acid

There total 18 articles about 2-Methyl-2-phenylbutanoic 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-methyl-2-phenyl-butyronitrile (5558-93-0) → 2-methyl-2-phenylbutanoic acid (51018-80-5)

Guidance literature:

With potassium hydroxide; In diethylene glycol;

DOI:10.1248/cpb.15.1749

Reference yield:

methyl 2-methyl-2-phenylbutanoate (62338-21-0) → 2-methyl-2-phenylbutanoic acid (51018-80-5)

Guidance literature:

methyl 2-methyl-2-phenylbutanoate; With sodium hydroxide; In methanol; at 60 ℃;

With hydrogenchloride; In methanol; water;

DOI:10.1021/ja413131m

Reference yield:

→ 2-methyl-2-phenylbutanoic acid (51018-80-5)

Guidance literature:

With sodium amide; methyl iodide; Hydrolyse mit aethanol. KOH und anschliessend mit KOH in Diaethylenglykol;

DOI:10.1021/ja01647a003

upstream raw materials:

(+/-)-2-methyl-2-phenyl-butyronitrile

carbon dioxide

(+/-)-3-methyl-3-phenyl-pentan-2-one

2-Brommethyl-2-phenyl-buttersaeure

Downstream raw materials:

C₂₅H₃₀N₂O

2-methyl-2-phenyl-N-(quinolin-8-yl)butanamide

2-phenyl-2-butanol

2-methyl-2-phenylbutanoyl azide

Refernces

• 1、 Wu, Xuesong,Zhao, Yan,Ge, Haibo. "Nickel-catalyzed site-selective alkylation of unactivated C(sp 3)-H bonds". . p. 1789 - 1792. Retrieved 2014/03/21.
• 2、 -. "UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS". Page/Page column 86. . Retrieved 2010/01/29.