Methyl 4-(2-hydroxyethyl)benzoate

Base Information

• Chemical Name: Methyl 4-(2-hydroxyethyl)benzoate
• CAS No.: 46190-45-8
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID40555549
• Wikidata: Q82436929
• Mol file: 46190-45-8.mol

Synonyms:methyl 4-(2-hydroxyethyl)benzoate;46190-45-8;MFCD24447574;SCHEMBL2655571;DTXSID40555549;methyl4-(2-hydroxyethyl)benzoate;KIDZPYBADRFBHD-UHFFFAOYSA-N;WBA19045;AKOS027322211;AS-41089;SY259642;4-(2-Hvdroxyethyl)benzoic acid methyl ester;4-(2-Hydroxyethyl)benzoic Acid Methyl Ester;CS-0138580;EN300-180279;A1-20999

Chemical Property of Methyl 4-(2-hydroxyethyl)benzoate

Chemical Property:

• Boiling Point: 134 °C(Press: 3 Torr)
• PKA: 14.72±0.10(Predicted)
• PSA: 46.53000
• Density: 1.143±0.06 g/cm3(Predicted)
• LogP: 1.00800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

Methyl 4-(2-hydroxyethyl)benzoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-(2-hydroxyethyl)benzoate

There total 14 articles about Methyl 4-(2-hydroxyethyl)benzoate 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%

methyl 4-[2-(phenylsilyl)ethyl]benzoate (1584730-57-3) → 4-(2-hydroxyethyl)benzoic acid methyl ester (46190-45-8)

Guidance literature:

With dihydrogen peroxide; potassium hydrogencarbonate; In tetrahydrofuran; methanol; water; at 20 ℃; for 6h;

DOI:10.1002/adsc.201300827

Reference yield: 78.0%

methyl 4-vinylbenzoate (1076-96-6) → 4-(2-hydroxyethyl)benzoic acid methyl ester (46190-45-8)

Guidance literature:

methyl 4-vinylbenzoate; With dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 2h;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/ja067194o

Reference yield:

1-methoxy-2-(4-carbomethoxyphenyl)ethylene (106918-31-4) → 4-(2-hydroxyethyl)benzoic acid methyl ester (46190-45-8)

Guidance literature:

1-methoxy-2-(4-carbomethoxyphenyl)ethylene; With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 4h;

With methanol; sodium tetrahydroborate; at 0 ℃; for 0.5h;

upstream raw materials:

methyl 4-vinylbenzoate

4-ethenylbenzoic acid

methyl 4-[2-(phenylsilyl)ethyl]benzoate

<4-(methoxycarbonyl)phenyl>oxirane

Downstream raw materials:

methyl 4-(2-iodoethyl)benzoate

methyl 4-(2-bromoethyl)benzoate

Refernces

• 1、 Lin, Quan,Ma, Guobin,Gong, Hegui. "Ni-Catalyzed Formal Cross-Electrophile Coupling of Alcohols with Aryl Halides". . p. 14102 - 14109. Retrieved 2021/11/20.
• 2、 -. "PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND/OR SMARCA4". . . Retrieved 2020/05/21.