Benzo[d][1,3]dioxol-4-ylmethanol

Base Information

• Chemical Name: Benzo[d][1,3]dioxol-4-ylmethanol
• CAS No.: 769-30-2
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2932999099
• European Community (EC) Number: 820-229-7
• DSSTox Substance ID: DTXSID90379873
• Wikidata: Q72445437
• Mol file: 769-30-2.mol

Synonyms:benzo[d][1,3]dioxol-4-ylmethanol;769-30-2;1,3-benzodioxol-4-ylmethanol;1,3-Benzodioxole-4-methanol;Benzo[1,3]dioxol-4-yl-methanol;4-(Hydroxymethyl)-1,3-benzodioxole;SCHEMBL506237;(1,3-dioxaindan-4-yl)methanol;DTXSID90379873;XVCMMPXFVAHHQN-UHFFFAOYSA-N;BCP25756;MFCD02681980;(benzo[d][1,3]dioxol-7-yl)methanol;AKOS009157369;CS-W005475;SDCCGMLS-0065922.P001;DS-13498;FT-0606546;A25931;EN300-249682;J-503862

Chemical Property of Benzo[d][1,3]dioxol-4-ylmethanol

Chemical Property:

• Vapor Pressure: 0.00112mmHg at 25°C
• Melting Point: 39℃
• Refractive Index: 1.594
• Boiling Point: 287.9 °C at 760 mmHg
• PKA: 14.24±0.10(Predicted)
• Flash Point: 127.9 °C
• PSA: 38.69000
• Density: 1.329 g/cm³
• LogP: 0.90760
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Benzodioxol-4-ylmethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=CC=CC(=C2O1)CO

Technology Process of Benzo[d][1,3]dioxol-4-ylmethanol

There total 14 articles about Benzo[d][1,3]dioxol-4-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: 100.0%

benzo[1,3]dioxole-4-carboxylic acid methyl ester (33842-16-9) → benzo[1,3]dioxol-4-yl-methanol (769-30-2)

Guidance literature:

benzo[1,3]dioxole-4-carboxylic acid methyl ester; With sodium tetrahydroborate; In tetrahydrofuran; at 65 ℃; for 0.5h;

With methanol; In tetrahydrofuran; for 4.5h; Reflux;

Reference yield: 93.0%

C11H16O3Si (880486-80-6) → benzo[1,3]dioxol-4-yl-methanol (769-30-2)

Guidance literature:

With aminosulfonic acid; water; at 20 ℃; for 0.9h;

DOI:10.1080/00397910903097344

Reference yield: 92.5%

2H-benzo[d]1,3-dioxolane-4-carbaldehyde (7797-83-3) → benzo[1,3]dioxol-4-yl-methanol (769-30-2)

Guidance literature:

With sodium dithionite; sodium hydrogencarbonate; In 1,4-dioxane; water; at 85 ℃; for 3h;

DOI:10.1080/00397919808007041

upstream raw materials:

benzo[1,3]dioxole-4-carboxylic acid methyl ester

2H-benzo[d]1,3-dioxolane-4-carbaldehyde

benzo[d][1,3]dioxol-5-yl(trimethylsilyl)methanone

2,3-dihydroxybenzaldehyde

Downstream raw materials:

4-(chloromethyl)benzo[d][1,3]dioxole

Refernces

• 1、 Lingel, Andreas,Sendzik, Martin,Huang, Ying,Shultz, Michael D.,Cantwell, John,Dillon, Michael P.,Fu, Xingnian,Fuller, John,Gabriel, Tobias,Gu, Justin,Jiang, Xiangqing,Li, Ling,Liang, Fang,McKenna, Maureen,Qi, Wei,Rao, Weijun,Sheng, Xijun,Shu, Wei,Sutton, James,Taft, Benjamin,Wang, Long,Zeng, Jue,Zhang, Hailong,Zhang, Maya,Zhao, Kehao,Lindvall, Mika,Bussiere, Dirksen E.. "Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase". supporting information. p. 415 - 427. Retrieved 2017/04/26.
• 2、 Rostami, Amin,Akradi, Jamal,Ahmad-Jangi, Firoz. "Boric acid as cost-effective and recyclable catalyst for trimethylsilyl protection and deprotection of alcohols and phenols". experimental part. p. 1587 - 1592. Retrieved 2010/11/04.