Tert-butyl 2-(hydroxymethyl)acrylate

Base Information

• Chemical Name: Tert-butyl 2-(hydroxymethyl)acrylate
• CAS No.: 121065-74-5
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• Hs Code.: 2918199890
• DSSTox Substance ID: DTXSID20438124
• Nikkaji Number: J695.616E
• Wikidata: Q82253761
• Mol file: 121065-74-5.mol

Synonyms:tert-butyl 2-(hydroxymethyl)acrylate;121065-74-5;Tert-butyl 2-(hydroxymethyl)prop-2-enoate;2-Propenoic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester;t-butyl hydroxymethylacrylate;SCHEMBL351999;DTXSID20438124;SVBJTBWVTZLHIZ-UHFFFAOYSA-N;t-butyl alpha-hydroxymethylacrylate;2-(Hydroxymethyl)acrylic acid tert-butyl ester

Chemical Property of Tert-butyl 2-(hydroxymethyl)acrylate

Chemical Property:

• PSA: 46.53000
• LogP: 0.87660
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

95-99% ^*data from raw suppliers

tert-Butyl 2-(hydroxymethyl)acrylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 2-(hydroxymethyl)acrylate

There total 2 articles about Tert-butyl 2-(hydroxymethyl)acrylate 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: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl 2-hydroxymethylacrylate (121065-74-5)

Guidance literature:

With 3-quinuclidinol; In water; at 20 ℃; for 240h;

DOI:10.1021/jo016073y

Reference yield: 67.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + tert-butyl diethylphosphonoacetate (27784-76-5) → tert-butyl 2-hydroxymethylacrylate (121065-74-5)

Guidance literature:

With potassium carbonate; at 25 ℃; for 2h;

DOI:10.1055/s-1997-1075

Reference yield: 95.0%

1-(4-methylbenzensulfonyl)-4-phenyl-1H-1,2,3-triazole (884866-01-7) + tert-butyl 2-hydroxymethylacrylate (121065-74-5) → tert-butyl 2-methylidene-4-{[(4-methylphenyl)sulfonyl]amino}-5-oxo-5-phenylpentanoate

Guidance literature:

With rhodium(II) pivalate; In toluene; at 80 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6ob02086k

upstream raw materials:

formaldehyd

tert-butyl diethylphosphonoacetate

tert-Butyl acrylate

Downstream raw materials:

(R)-3-cyclohexyl-2-hydroxymethyl-propionic acid tert-butyl ester