3-((4-Methoxybenzyl)oxy)propan-1-ol

Base Information

• Chemical Name: 3-((4-Methoxybenzyl)oxy)propan-1-ol
• CAS No.: 135362-69-5
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• DSSTox Substance ID: DTXSID90450434
• Nikkaji Number: J47.654D
• Wikidata: Q63392084
• Mol file: 135362-69-5.mol

Synonyms:3-((4-Methoxybenzyl)oxy)propan-1-ol;135362-69-5;3-[(4-METHOXYBENZYL)OXY]-1-PROPANOL;3-[(4-Methoxybenzyl)oxy]propan-1-ol;3-[(4-methoxyphenyl)methoxy]propan-1-ol;1-Propanol, 3-[(4-methoxyphenyl)methoxy]-;MFCD10570229;SCHEMBL4483666;DTXSID90450434;BGEHPNIXVMWYJD-UHFFFAOYSA-N;3-(4-Methoxybenzyloxy)-1-propanol;AKOS006343094;DS-9937;SY277021;3-(4-METHOXYPHENYLMETHOXY)PROPANOL;CS-0158295;D83086;A887670;Q63392084

Chemical Property of 3-((4-Methoxybenzyl)oxy)propan-1-ol

Chemical Property:

• Boiling Point: 334.2±22.0 °C(Predicted)
• PKA: 14.87±0.10(Predicted)
• PSA: 38.69000
• Density: 1.071±0.06 g/cm3(Predicted)
• LogP: 1.59420
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

3-((4-Methoxybenzyl)oxy)propan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COCCCO
• Uses: 3-[(4-Methoxybenzyl)oxy]propan-1-ol is an intermediate in the synthesis of Aflatoxin G2-d3 (A357487), Labelled Aflatoxin G2. Aflatoxins B1, B2, G1, G2 as secondary metabolites of fungal species such as Aspergillus flavus or Aspergillus parasiticus growing on a variety of foods (peanuts, nuts, spices, cereals). Aflatoxins are a group of very carcinogenic mycotoxins with hepatotoxic effects.Environmental contaminants; Food contaminants

Technology Process of 3-((4-Methoxybenzyl)oxy)propan-1-ol

There total 18 articles about 3-((4-Methoxybenzyl)oxy)propan-1-ol 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%

2-(4-methoxy-phenyl)-[1,3]dioxane (5689-71-4) → 3-(4-methoxybenzyl)oxypropan-1-ol (135362-69-5)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 - 20 ℃; for 2h;

DOI:10.1039/c6ob00086j

Reference yield: 95.0%

p-Methoxybenzyl bromide (2746-25-0) + trimethyleneglycol (504-63-2) → 3-(4-methoxybenzyl)oxypropan-1-ol (135362-69-5)

Guidance literature:

trimethyleneglycol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

p-Methoxybenzyl bromide; With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/hlca.201200338

Reference yield: 92.0%

p-methoxybenzyl chloride (824-94-2) + trimethyleneglycol (504-63-2) → 3-(4-methoxybenzyl)oxypropan-1-ol (135362-69-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 2.5h;

DOI:10.1055/s-0029-1216930

upstream raw materials:

2-(4-methoxy-phenyl)-[1,3]dioxane

O-(4-methoxybenzyl)-trichloroacetimidate

trimethyleneglycol

p-methoxybenzyl chloride

Downstream raw materials:

Trifluoro-methanesulfonic acid 3-(4-methoxy-benzyloxy)-propyl ester

Toluene-4-sulfonic acid 3-(4-methoxy-benzyloxy)-propyl ester

4-methoxy-benzaldehyde

tert-butyl(((3S,4R)-1-((4-methoxybenzyl)oxy)-4-methylhex-5-en-3-yl)oxy)dimethylsilane

Refernces

• 1、 Lan, Chunling Blue,Auclair, Karine. "Ammonium Chloride-Promoted Rapid Synthesis of Monosubstituted Ureas under Microwave Irradiation". supporting information. p. 5135 - 5146. Retrieved 2021/10/19.
• 2、 -. "BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS". Paragraph 0018; 0104. . Retrieved 2021/04/02.