Methyl 4-(hydroxymethyl)benzoate

Base Information

• Chemical Name: Methyl 4-(hydroxymethyl)benzoate
• CAS No.: 6908-41-4
• Deprecated CAS: 185532-81-4
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29181990
• European Community (EC) Number: 230-017-0
• DSSTox Substance ID: DTXSID4064501
• Nikkaji Number: J48.625F
• Wikidata: Q72491358
• Mol file: 6908-41-4.mol

Synonyms:Methyl 4-(hydroxymethyl)benzoate;6908-41-4;Methyl (4-hydroxymethyl)benzoate;Benzoic acid, 4-(hydroxymethyl)-, methyl ester;4-Carbomethoxybenzyl alcohol;4-(Hydroxymethyl)benzoic Acid Methyl Ester;Methyl p-(hydroxymethyl)benzoate;MFCD00009984;EINECS 230-017-0;methyl-4-(hydroxymethyl)benzoate;SCHEMBL63426;methyl 4-hydroxymethylbenzoate;Methyl p-Hydroxymethylbenzoate;methyl-4-hydroxymethylbenzoate;p-methoxycarbonylbenzyl alcohol;methyl 4-hydroxylmethylbenzoate;DTXSID4064501;4-(Hydroxymethyl)benzoic acid methyl;AC2428;AKOS000249589;AS-8555;methyl 4-hydroxymethylbenzenecarboxylate;4-hydroxymethyl-benzoic acid methylester;4-hydroxymethylbenzoic acid methyl ester;Methyl 4-(hydroxymethyl)benzoate, 98%;p-Hydroxymethylbenzoic acid methyl ester;4-hydroxymethyl-benzoic acid methyl ester;SY017674;CS-0130415;FT-0618720;H0640;p-Toluic acid, .alpha.-hydroxy-, methyl ester;EN300-1229479;Z25262776

Chemical Property of Methyl 4-(hydroxymethyl)benzoate

Chemical Property:

• Appearance/Colour: WHITE POWDER OR CRYSTALS
• Vapor Pressure: 0.000697mmHg at 25°C
• Melting Point: 47-50 °C(lit.)
• Refractive Index: 1.542
• Boiling Point: 295.3 °C at 760 mmHg
• PKA: 13.99±0.10(Predicted)
• Flash Point: 129.2 °C
• PSA: 46.53000
• Density: 1.177g/cm³
• LogP: 0.96550
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: chloroform: soluble25mg/mL, clear, colorless to faint yellow or
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-(Hydroxymethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CO
• Uses: Methyl 4-(hydroxymethyl)benzoate was used in the synthesis of keto acid.

Technology Process of Methyl 4-(hydroxymethyl)benzoate

There total 89 articles about Methyl 4-(hydroxymethyl)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: 100.0%

methyl 4-formylbenzoate (1571-08-0) → 4-(methoxycarbonyl)benzyl alcohol (6908-41-4,58590-49-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 5 ℃; for 0.5h;

DOI:10.1021/jm9800853

Reference yield: 99.0%

methanol (67-56-1) + 3-hydroxymethyl-benzoic acid (3006-96-0) → 4-(methoxycarbonyl)benzyl alcohol (6908-41-4,58590-49-1)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

DOI:10.1016/S0040-4020(97)10156-9

Reference yield: 95.0%

4-Methoxycarbonylbenzoyl chloride (7377-26-6) → 4-(methoxycarbonyl)benzyl alcohol (6908-41-4,58590-49-1)

Guidance literature:

With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; diethyl ether; at 0 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)84952-7

upstream raw materials:

methanol

3-hydroxymethyl-benzoic acid

1,4-benzenedicarboxylic acid dimethyl ester

ethanol

Downstream raw materials:

methyl p-<(10-dihydroartemisininoxy)methyl>benzoate

Methyl 4-(bromomethyl)benzoate

p-methyloxycarbonylbenzyl chloride

3-hydroxymethyl-benzoic acid

Refernces

• 1、 Li, Xinying,Mi, Tongge,Guo, Wenjing,Ruan, Zhongrui,Guo, Yu,Ma, Yan-Na,Chen, Xuenian. "KB3H8: An environment-friendly reagent for the selective reduction of aldehydes and ketones to alcohols". supporting information. p. 12776 - 12779. Retrieved 2021/12/10.
• 2、 Xi, Zi-Wei,Yang, Lei,Wang, Dan-Yan,Feng, Chuan-Wei,Qin, Yufeng,Shen, Yong-Miao,Pu, Chaodan,Peng, Xiaogang. "Visible Light Induced Reduction and Pinacol Coupling of Aldehydes and Ketones Catalyzed by Core/Shell Quantum Dots". . p. 2474 - 2488. Retrieved 2021/02/05.