2,3-Dihydro-1,4-benzodioxin-5-ylmethanol

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol
• CAS No.: 274910-19-9
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30379872
• Wikidata: Q27459149
• Mol file: 274910-19-9.mol

Synonyms:274910-19-9;(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methanol;2,3-dihydro-1,4-benzodioxin-5-ylmethanol;(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-methanol;(2,3-Dihydro-1,4-benzodioxin-5-yl)methanol;(2,3-Dihydrobenzo[1,4]dioxin-5-yl)methanol;SCHEMBL2260257;5-hydroxymethyl-1,4-benzodioxan;DTXSID30379872;WATIARBIFSKYKC-UHFFFAOYSA-N;MFCD03659696;AKOS009157368;DS-2305;FS-3309;SDCCGMLS-0065914.P001;AM100613;BP-11229;2,3-dihydro-1,4-benzdioxin-5-ylmethanol;1,4-Benzodioxin-5-methanol, 2,3-dihydro-;CS-0156999;FT-0609627;EN300-55002;A857547;J-500561;Q27459149;2,3-dihydro-1,4-benzodioxin-5-ylmethanol, AldrichCPR;Z440625162;DBJ

Chemical Property of 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol

Chemical Property:

• Vapor Pressure: 0.000337mmHg at 25°C
• Melting Point: 54oC
• Boiling Point: 306.4oC at 760 mmHg
• PKA: 14.24±0.10(Predicted)
• Flash Point: 139.1oC
• PSA: 38.69000
• Density: 1.257g/cm3
• LogP: 0.95010
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-51
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=CC=C2O1)CO

Technology Process of 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol

There total 5 articles about 2,3-Dihydro-1,4-benzodioxin-5-ylmethanol 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: 99.0%

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (4442-53-9) → (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methanol (274910-19-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

Reference yield: 89.0%

2,3-dihydro-benzo[1,4]dioxine-5-carbaldehyde (29668-43-7) → (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methanol (274910-19-9)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 1h;

Reference yield: 27.0%

2,3-dihydroxybenzaldehyde (24677-78-9) + ethylene dibromide (106-93-4) → (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methanol (274910-19-9)

Guidance literature:

2,3-dihydroxybenzaldehyde; ethylene dibromide; With caesium carbonate; In DMF (N,N-dimethyl-formamide); for 2h; Heating / reflux;

With sodium tetrahydroborate; In DMF (N,N-dimethyl-formamide); ethanol; at 20 ℃; for 1h; Product distribution / selectivity;

upstream raw materials:

2,3-dihydro-benzo[1,4]dioxine-5-carbaldehyde

2,3-dihydroxybenzaldehyde

ethylene dibromide

ethyl 1,4-benzodioxane-5-carboxylate

Downstream raw materials:

2,3-dihydro-benzo[1,4]dioxine-5-carbaldehyde

2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid

5-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine

monochlormethylbenzo-1,4-dioxane