Methyl 4-(hydroxymethyl)-3-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-(hydroxymethyl)-3-methoxybenzoate
• CAS No.: 79236-96-7
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• European Community (EC) Number: 895-800-7
• Mol file: 79236-96-7.mol

Synonyms:Methyl 4-(hydroxymethyl)-3-methoxybenzoate;79236-96-7;Benzoic acid, 4-(hydroxymethyl)-3-methoxy-, methyl ester;MFCD15202212;SCHEMBL2252810;DQEZWNXDNYVFND-UHFFFAOYSA-N;AKOS024258683;AS-34251;Methyl4-(hydroxymethyl)-3-methoxybenzoate;SY322391;CS-0049906;FT-0731495;Methyl 4-(hydroxymethyl)-3-(methyloxy)benzoate;EN300-7391474;A864891;A1-12284;Z1618141881

Chemical Property of Methyl 4-(hydroxymethyl)-3-methoxybenzoate

Chemical Property:

• Melting Point: 103-104 °C
• Boiling Point: 331.0±32.0 °C(Predicted)
• PKA: 14.16±0.10(Predicted)
• PSA: 55.76000
• Density: 1.188±0.06 g/cm3(Predicted)
• LogP: 0.97410
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(Hydroxymethyl)-3-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)OC)CO

Technology Process of Methyl 4-(hydroxymethyl)-3-methoxybenzoate

There total 4 articles about Methyl 4-(hydroxymethyl)-3-methoxybenzoate 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: 52.3%

methyl 4-(bromomethyl)-3-methoxybenzoate (70264-94-7) → 2-methoxy-4-(hydroxymethyl)-3-methoxybenzoate (79236-96-7)

Guidance literature:

With water; sodium hydrogencarbonate; tetrabutylammomium bromide; at 20 - 70 ℃; for 5h;

Reference yield: 43.0%

1,4-dimethyl 2-methoxybenzene-1,4-dicarboxylate (36727-17-0) → 2-methoxy-4-(hydroxymethyl)-3-methoxybenzoate (79236-96-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)92456-1

Reference yield:

methyl 4-methyl-3-methoxybenzoate (3556-83-0) → 2-methoxy-4-(hydroxymethyl)-3-methoxybenzoate (79236-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / NBS, AIBN / CCl₄ / 4 h / Heating

2: 50 percent / Amberlite carbonate / benzene / 0.75 h / Heating

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); Amberlite carbonate; In tetrachloromethane; benzene;

DOI:10.1016/S0223-5234(97)83282-5

upstream raw materials:

1,4-dimethyl 2-methoxybenzene-1,4-dicarboxylate

methyl 4-(bromomethyl)-3-methoxybenzoate

methyl 4-methyl-3-methoxybenzoate

methyl 4-(acetoxymethyl)-3-methoxybenzoate

Downstream raw materials:

1-hydroxymethyl-4-hydroxy--methyl-2-methoxybenzene

1-chloromethyl-4-chloro--methyl-2-methoxybenzene

3-t-butyl-1-(7-methoxy<2,2-D2><2.2>paracyclophan-4-yl)-5-phenylformazan

3-t-butyl-1-(7-methoxy<2,2-D2><2,2>paracyclophan-4-yl)-5-phenylverdazyl

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