Benzyl 2,2-bis(methylol)propionate

Base Information

• Chemical Name: Benzyl 2,2-bis(methylol)propionate
• CAS No.: 179388-73-9
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• DSSTox Substance ID: DTXSID90461267
• Nikkaji Number: J759.296E
• Wikidata: Q82285541
• Mol file: 179388-73-9.mol

Synonyms:179388-73-9;benzyl 2,2-bis(methylol)propionate;benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;2,2-BIS-(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER;Phenylmethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;SCHEMBL846938;DTXSID90461267;VGFNGLUDOVQRNF-UHFFFAOYSA-N;benzyl 2,2-bis(hydroxymethyl)propionate;W17824;benzyl3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

Chemical Property of Benzyl 2,2-bis(methylol)propionate

Chemical Property:

• PSA: 66.76000
• LogP: 0.72070
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2,2-BIS-(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(CO)C(=O)OCC1=CC=CC=C1

Technology Process of Benzyl 2,2-bis(methylol)propionate

There total 4 articles about Benzyl 2,2-bis(methylol)propionate 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: 93.0%

→ benzyl 2,2-bis(hydroxylmethyl)propionate (179388-73-9)

Guidance literature:

Reference yield: 89.0%

2,2-bis(hydroxymethyl)propionic acid (4767-03-7) + benzyl bromide (100-39-0) → benzyl 2,2-bis(hydroxylmethyl)propionate (179388-73-9)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1021/ja2070736

Reference yield: 74.2%

2,2-bis(hydroxymethyl)propionic acid (4767-03-7) + benzyl chloride (100-44-7) → benzyl 2,2-bis(hydroxylmethyl)propionate (179388-73-9)

Guidance literature:

2,2-bis(hydroxymethyl)propionic acid; With potassium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

benzyl chloride; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1021/acs.macromol.0c00938

upstream raw materials:

2,2-bis(hydroxymethyl)propionic acid

benzyl bromide

benzyl chloride

Downstream raw materials:

3-(3-Acetoxy-2-acetoxymethyl-2-methyl-propionyloxy)-2-(3-acetoxy-2-acetoxymethyl-2-methyl-propionyloxymethyl)-2-methyl-propionic acid benzyl ester

2,2,5-trimethyl-[1,3]dioxane-5-carboxylic acid 2-benzyloxycarbonyl-3-hydroxy-2-methyl-propyl ester

2-(2-bromo-2-methyl-propionyloxymethyl)-3-hydroxy-2-methyl-propionic acid benzyl ester

benzyl 2-{2'-N-(tert-butoxycarbonylamino)acetoxymethyl}-3-hydroxy-2-methylpropanoate

Refernces

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