4-(2-Hydroxypropan-2-yl)phenol

Base Information

• Chemical Name: 4-(2-Hydroxypropan-2-yl)phenol
• CAS No.: 2948-47-2
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• European Community (EC) Number: 826-733-3
• DSSTox Substance ID: DTXSID601021805
• Nikkaji Number: J28.493I
• Mol file: 2948-47-2.mol

Synonyms:4-(2-hydroxypropan-2-yl)phenol;2948-47-2;Benzenemethanol, 4-hydroxy-alpha,alpha-dimethyl-;4-(2-Hydroxy-2-propyl)phenol;SCHEMBL548276;PMZXHWXCHFTBFZ-UHFFFAOYSA-N;2-(4-Hydroxyphenyl)propane-2-ol;DTXSID601021805;CAA94847;MFCD18761954;4-(1-hydroxy-1-methyl-ethyl)-phenol;AKOS006343920;SY272686;CS-0225371;EN300-123593;Z1198750150

Chemical Property of 4-(2-Hydroxypropan-2-yl)phenol

Chemical Property:

• Melting Point: 174.1-174.8 °C
• Boiling Point: 150 °C(Press: 5 Torr)
• PKA: 10.01±0.26(Predicted)
• PSA: 40.46000
• Density: 1.122±0.06 g/cm3(Predicted)
• LogP: 1.61960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

4-(2-Hydroxypropan-2-yl)phenol ^*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)O

Technology Process of 4-(2-Hydroxypropan-2-yl)phenol

There total 16 articles about 4-(2-Hydroxypropan-2-yl)phenol 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: 98.5%

carbon dioxide (124-38-9,18923-20-1) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 2-(4-hydroxyphenyl)-2-propanol (2948-47-2)

Guidance literature:

With ammonium chloride; methyllithium; In tetrahydrofuran; ice-water; diethyl ether; hexane; ethyl acetate; acetone;

Reference yield: 87.0%

methyllithium (917-54-4) + 4-hydroxy-benzoic acid (99-96-7) → 2-(4-hydroxyphenyl)-2-propanol (2948-47-2) + 4-Hydroxyacetophenone (99-93-4)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; diethyl ether; at 0 ℃; for 2h; Yields of byproduct given;

DOI:10.1021/jo00157a038

Reference yield: 80.7%

1-methyl-1-<4-(benzyloxy)phenyl>ethanol (94571-13-8) → 2-(4-hydroxyphenyl)-2-propanol (2948-47-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 4h; under 3000.3 - 3225.32 Torr;

upstream raw materials:

methyl magnesium iodide

4-Hydroxyacetophenone

methyllithium

4-hydroxy-benzoic acid

Downstream raw materials:

BPA

2-(4-hydroxy-3-methylphenyl)-2-(4'-hydroxyphenyl)propane

Diethyl-p-phosphoryloxycumylchlorid

p-Acetoxycumylchlorid

Refernces

• 1、 -. "CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE". . . Retrieved 2019/11/11.
• 2、 Du, Lei,Dong, Sheng,Zhang, Xingwang,Jiang, Chengying,Chen, Jingfei,Yao, Lishan,Wang, Xiao,Wan, Xiaobo,Liu, Xi,Wangi, Xinquan,Huang, Shaohua,Cui, Qiu,Feng, Yingang,Liu, Shuang-Jiang,Li, Shengying. "Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system". . p. E5129 - E5137. Retrieved 2017/07/04.