2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester
• CAS No.: 23873-58-7
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• DSSTox Substance ID: DTXSID20441991
• Nikkaji Number: J910.589A
• Mol file: 23873-58-7.mol

Synonyms:23873-58-7;2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester;SCHEMBL198447;butyl alpha-hydroxymethyl acrylate;DTXSID20441991;2-(Hydroxymethyl)acrylic acid butyl ester

Chemical Property of 2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(=C)CO

Technology Process of 2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester

There total 1 articles about 2-Propenoic acid, 2-(hydroxymethyl)-, butyl ester 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:

propargyl alcohol (107-19-7) + tetracarbonyl nickel (13463-39-3,71564-36-8) + butan-1-ol (71-36-3) → butyl 3-hydroxy-2-methylene-propanoate (23873-58-7)

Guidance literature:

Multistep reaction; (i) AcOH, (ii) /BRN= 506003/, (iii) H₂SO₄;

DOI:10.1021/jo01045a084

Reference yield:

butyl 3-hydroxy-2-methylene-propanoate (23873-58-7) → C38H34N2O8

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / dichloromethane / Inert atmosphere

2: tributylphosphine / chloroform / 72 h / 20 °C / Inert atmosphere

With dmap; tributylphosphine; In dichloromethane; chloroform;

DOI:10.1021/ol102738b

Reference yield:

butyl 3-hydroxy-2-methylene-propanoate (23873-58-7) → butyl 2-methylene-4-((4-methylphenyl)sulfonamido)-4-phenylbutanoate

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus tribromide / diethyl ether / -30 - 0 °C

2: ammonium chloride; zinc / tetrahydrofuran / 0.02 h / 20 °C

With phosphorus tribromide; ammonium chloride; zinc; In tetrahydrofuran; diethyl ether;

DOI:10.1021/acs.orglett.7b00072

upstream raw materials:

propargyl alcohol

tetracarbonyl nickel

butan-1-ol