2-(4-Hydroxyphenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-Hydroxyphenyl)-2-methylpropanoic acid
• CAS No.: 29913-51-7
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 822-268-5
• DSSTox Substance ID: DTXSID80564913
• Wikidata: Q82449788
• Mol file: 29913-51-7.mol

Synonyms:2-(4-Hydroxyphenyl)-2-methylpropanoic acid;29913-51-7;4-hydroxy-.alpha.,.alpha.-dimethyl-Benzeneacetic acid;MFCD00995712;2-(4-Hydroxyphenyl)-2-methylpropanoicacid;SCHEMBL1819260;DTXSID80564913;PECVBUCAGSDWKQ-UHFFFAOYSA-N;methyl-p-hydroxyphenylpropionic acid;AKOS015951020;DS-5586;SY163248;Benzeneacetic acid, 4-hydroxy-,-dimethyl-;2-Methyl 2-(4-Hydroxyphenyl) Propionic Acid;2-(4-hydroxy-phenyl)-2-methyl-propionic acid;alpha,alpha-dimethyl 4-hydroxyphenylacetic acid;EN300-185970;2,2-Dimethyl-2-(4-hydroxybenzene)-acetic acid;Z1258981351

Chemical Property of 2-(4-Hydroxyphenyl)-2-methylpropanoic acid

Chemical Property:

• Boiling Point: 345.5±17.0 °C(Predicted)
• PKA: 4.60±0.10(Predicted)
• PSA: 57.53000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 1.75440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Hydroxyphenyl)-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Hydroxyphenyl)-2-methylpropanoic acid

There total 7 articles about 2-(4-Hydroxyphenyl)-2-methylpropanoic 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: 94.0%

2-(4-methoxyphenyl)-2-methylpropanoic acid (2955-46-6) → 2-methyl-2-(p-hydroxyphenyl)-propionic acid (29913-51-7)

Guidance literature:

With pyridine hydrochloride; at 170 - 190 ℃; for 5h;

DOI:10.1021/jm00052a010

Reference yield: 77.4%

methyl 2-(4-methoxyphenyl)-2-methylpropanoate (6274-50-6) → 2-methyl-2-(p-hydroxyphenyl)-propionic acid (29913-51-7)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 0 ℃; for 1h;

Reference yield:

phenol (108-95-2,27073-41-2) → 2-methyl-2-(p-hydroxyphenyl)-propionic acid (29913-51-7)

Guidance literature:

With hydrogenchloride; In acetone;

upstream raw materials:

2-(4-Hydroxyphenyl)-2-methylpropionitrile

2-(4-methoxyphenyl)-2-methylpropanoic acid

2-(4-methoxy-phenyl)-2-methyl-propionitrile

phenol

Downstream raw materials:

N-(bis(4-fluorophenyl)methyl)-2-(4-hydroxyphenyl)-2-methylpropanamide

ethyl 2-(4-hydroxyphenyl)-2-methylpropanoate

(2S)-{2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulfamoylbiphenyl-3-yl]-2-methylpropionylamino}succinamide

methyl 2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-cyano-6,2'-dimethoxybiphenyl-3-yl]-2-methylpropanoate