2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol

Base Information

• Chemical Name: 2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
• CAS No.: 3784-12-1
• Molecular Formula: C₈H₁₆O₄
• Molecular Weight: 176.213
• European Community (EC) Number: 293-883-9
• UNII: CK2HWY232G
• Nikkaji Number: J1.241.956B
• RXCUI: 2003177
• Mol file: 3784-12-1.mol

Synonyms:Allyl pentaerythritol;91648-24-7;EINECS 293-883-9;1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether;2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol;2,2-Bis(hydroxymethyl)-1,3-propanediol allyl ether;Pentaerythritol allyl ether;UNII-8S4V89348V;3784-12-1;1,3-Propanediol, 2-(hydroxymethyl)-2-[(2-propen-1-yloxy)methyl]-;2-(HYDROXYMETHYL)-2-[(PROP-2-EN-1-YLOXY)METHYL]PROPANE-1,3-DIOL;1,3-Propanediol,2,2-bis(hydroxymethyl)-,allyl ether;SCHEMBL109961;RFIMISVNSAUMBU-UHFFFAOYSA-N;AKOS006277432;8S4V89348V;SB85058;LS-120183;2,2-Bis(hydroxymethyl)-1,3-propanediolallylether;A1-06693

Chemical Property of 2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol

Chemical Property:

• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 176.10485899
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: C=CCOCC(CO)(CO)CO

Technology Process of 2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol

There total 2 articles about 2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol 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: 27.8%

Pentaerythritol (115-77-5) + allyl bromide (106-95-6) → 2-allyloxymethyl-2-hydroxymethylpropane-1,3-diol (3784-12-1) + 2,2-bis(allyloxymethyl)propane-1,3-diol (2590-16-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 45 - 47 ℃;

DOI:10.1023/B:RUCB.0000024842.72905.c7

Reference yield:

Pentaerythritol (115-77-5) + 3-chloroprop-1-ene (107-05-1) → 2-allyloxymethyl-2-hydroxymethylpropane-1,3-diol (3784-12-1) + 2,2-bis(allyloxymethyl)propane-1,3-diol (2590-16-1)

Guidance literature:

With 1,4-dioxane; sodium hydroxide;

DOI:10.1021/ja01101a510

Reference yield:

2-allyloxymethyl-2-hydroxymethylpropane-1,3-diol (3784-12-1) + 3-chloroprop-1-ene (107-05-1) → 2,2-bis(allyloxymethyl)propane-1,3-diol (2590-16-1)

Guidance literature:

2-allyloxymethyl-2-hydroxymethylpropane-1,3-diol; With sodium hydroxide; at 120 ℃; for 7h;

3-chloroprop-1-ene; at 120 ℃; for 10h; Temperature;

upstream raw materials:

Pentaerythritol

3-chloroprop-1-ene

allyl bromide

Downstream raw materials:

H₂CCHCH₂OCH₂C(CH₂P(C₆H₅)2)3

(2-Allyloxymethyl-3-pentachlorophenyloxycarbonylmethoxy-2-pentachlorophenyloxycarbonylmethoxymethyl-propoxy)-acetic acid pentachlorophenyl ester

2,2-bis(allyloxymethyl)propane-1,3-diol

Refernces