1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-

Base Information

• Chemical Name: 1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-
• CAS No.: 130147-42-1
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• DSSTox Substance ID: DTXSID20474981
• Nikkaji Number: J1.823.556K
• Wikidata: Q82305182
• Mol file: 130147-42-1.mol

Synonyms:130147-42-1;1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-;SCHEMBL5375962;DTXSID20474981;2-(Benzyloxymethyl)-2-(hydroxymethyl)-1,3-propanediol

Chemical Property of 1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCC(CO)(CO)CO

Technology Process of 1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-

There total 10 articles about 1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]- 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: 100.0%

4-<(benzyloxy)methyl>-1-methyl-2,6,7-trioxabicyclo<2.2.2>octane (99231-99-9) → 2-<(benzyloxy)methyl>-2-(hydroxymethyl)-1,3-propanediol (130147-42-1)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201700783

Reference yield: 75.0%

5-benzyloxymethyl-5-hydroxymethyl-2-phenyl-1,3-dioxane → 2-<(benzyloxy)methyl>-2-(hydroxymethyl)-1,3-propanediol (130147-42-1)

Guidance literature:

With hydrogenchloride; In methanol; water; for 8h; Heating;

DOI:10.1080/00397910600764006

Reference yield: 72.0%

Pentaerythritol (115-77-5) + benzyl bromide (100-39-0) → 2-<(benzyloxy)methyl>-2-(hydroxymethyl)-1,3-propanediol (130147-42-1)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jo071181r

upstream raw materials:

4-<(benzyloxy)methyl>-1-methyl-2,6,7-trioxabicyclo<2.2.2>octane

2-(benzyloxymethyl)-2-(toluene-4-sulfonyloxymethyl)-1,3-propanediol

Pentaerythritol

benzyl bromide

Downstream raw materials:

2-phenyl-5,5-bis<(benzyloxy)methyl>-1,3-dioxane

[3-(2,2,2-trifluoro-1,1-bis-trifluoromethyl-ethoxy)-2,2-bis-(2,2,2-trifluoro-1,1-bis-trifluoromethyl-ethoxymethyl)-propoxymethyl]-benzene

3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2,2-bis-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-propan-1-ol

C₂₁H₃₈O₄Si